2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide

C99H122F10N16O8 — CID 158150204

IUPAC2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.CC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCC(F)(F)F.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H19FN2O.C16H17FN2O.C15H22FN3O2.C15H16FN3O.C13H19FN2O.C12H17FN2O.C11H12F4N2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;16-13-5-3-11(4-6-13)8-14(17)15(20)19-10-12-2-1-7-18-9-12;1-9(2)8-16-13(17)12(15)7-10-3-5-11(14)6-4-10;1-8(2)15-12(16)11(14)7-9-3-5-10(13)6-4-9;12-8-3-1-7(2-4-8)5-9(16)10(18)17-6-11(13,14)15/h1-9,16H,10-12,19H2,(H,20,21);2-9,12H,10-11H2,1H3,(H,19,20);1-4,14H,5-11,17H2,(H,18,20);1-7,9,14H,8,10,17H2,(H,19,20);3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);3-6,8,11H,7,14H2,1-2H3,(H,15,16);1-4,9H,5-6,16H2,(H,17,18)
InChIKeyFUZXUYHHXMMPHX-UHFFFAOYSA-N
MW1854.15 g/mol
LogP10.38
Rot. Bonds35

About 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide

2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 158150204) has the molecular formula C99H122F10N16O8 and a molecular weight of 1854.15 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID158150204
Molecular FormulaC99H122F10N16O8
Molecular Weight1854.15 g/mol
Exact Mass1852.95
IUPAC Name2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.CC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCC(F)(F)F.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H19FN2O.C16H17FN2O.C15H22FN3O2.C15H16FN3O.C13H19FN2O.C12H17FN2O.C11H12F4N2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;16-13-5-3-11(4-6-13)8-14(17)15(20)19-10-12-2-1-7-18-9-12;1-9(2)8-16-13(17)12(15)7-10-3-5-11(14)6-4-10;1-8(2)15-12(16)11(14)7-9-3-5-10(13)6-4-9;12-8-3-1-7(2-4-8)5-9(16)10(18)17-6-11(13,14)15/h1-9,16H,10-12,19H2,(H,20,21);2-9,12H,10-11H2,1H3,(H,19,20);1-4,14H,5-11,17H2,(H,18,20);1-7,9,14H,8,10,17H2,(H,19,20);3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);3-6,8,11H,7,14H2,1-2H3,(H,15,16);1-4,9H,5-6,16H2,(H,17,18)
InChIKeyFUZXUYHHXMMPHX-UHFFFAOYSA-N
XLogP10.38
TPSA398.07 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.15
LogP ≤ 510.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Analyze 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide with MolForge

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Related Compounds

(4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 15126557
(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-3-oxo-4-[[(2S)-2-[[(2S)-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]pent-4-enoyl]amino]pentanamide
CID 15126586
(1R,2R,4R)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-morpholin-4-yl-2-phenylcyclohexane-1-carboxamide
CID 84973024
(2S)-N-[(1S,4S)-1-benzyl-3,3-difluoro-4-[[(2R)-3-methyl-2-[3-(2-pyridyl)propanoylamino]butanoyl]amino]-2-oxo-5-phenyl-pentyl]-3-methyl-2-[3-(2-pyridyl)propanoylamino]butanamide
CID 464749
(3R)-4-(4,4-difluorocyclohexanecarbonyl)-N-[(2R)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]morpholine-3-carboxamide
CID 176455761
(3R)-4-[2-(4,4-difluorocyclohexyl)acetyl]-N-[(2R)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]morpholine-3-carboxamide
CID 176455762
[(3S,6R)-6-[2-[3-[[(2S,3S)-2-amino-3-(4-fluorophenyl)-3-[4-(3-pyridyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 86578169
(3R)-N-[(2R)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-4-[4-(trifluoromethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
CID 176455760
(3R)-4-[3-(4,4-difluorocyclohexyl)propanoyl]-N-[(2R)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]morpholine-3-carboxamide
CID 176455764
(3S)-4-[2-(4,4-difluorocyclohexyl)acetyl]-N-[(2R)-3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]morpholine-3-carboxamide
CID 176455765
N-(1,5-dipyridin-4-ylpentan-3-yl)-N-[(4-fluorophenyl)methyl]-2-(methylamino)-3-phenylpropanamide
CID 21706662
(2S)-N-[[4-(2-methoxyethylamino)phenyl]methyl]-N-methyl-2-[(4-morpholin-4-ylphenyl)methyl-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]amino]-3-phenylpropanamide
CID 46209119

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 158150204) is 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide is CC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.CC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCC(F)(F)F.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FUZXUYHHXMMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O.C16H17FN2O.C15H22FN3O2.C15H16FN3O.C13H19FN2O.C12H17FN2O.C11H12F4N2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;1-12(10-13-2-4-15(17)5-3-13)16(20)19-11-14-6-8-18-9-7-14;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;16-13-5-3-11(4-6-13)8-14(17)15(20)19-10-12-2-1-7-18-9-12;1-9(2)8-16-13(17)12(15)7-10-3-5-11(14)6-4-10;1-8(2)15-12(16)11(14)7-9-3-5-10(13)6-4-9;12-8-3-1-7(2-4-8)5-9(16)10(18)17-6-11(13,14)15/h1-9,16H,10-12,19H2,(H,20,21);2-9,12H,10-11H2,1H3,(H,19,20);1-4,14H,5-11,17H2,(H,18,20);1-7,9,14H,8,10,17H2,(H,19,20);3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);3-6,8,11H,7,14H2,1-2H3,(H,15,16);1-4,9H,5-6,16H2,(H,17,18).
What are the key properties of 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 1854.15 g/mol, XLogP of 10.38, 35 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-propan-2-ylpropanamide;2-amino-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide;2-amino-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide;3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 158150204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).