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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde

C89H110F9N15O8 — CID 160695376

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde
SMILESCC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.O=CC(F)(F)F
InChIInChI=1S/C17H19FN2O.C15H22FN3O2.2C15H16FN3O.C13H19FN2O.C12H17FN2O.C2HF3O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;2*16-13-3-1-11(2-4-13)9-14(17)15(20)19-10-12-5-7-18-8-6-12;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;3-2(4,5)1-6/h1-9,16H,10-12,19H2,(H,20,21);1-4,14H,5-11,17H2,(H,18,20);2*1-8,14H,9-10,17H2,(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);1H
InChIKeyRPXVBGOLUZCCLR-UHFFFAOYSA-N
MW1688.94 g/mol
LogP8.45
Rot. Bonds31

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde (PubChem CID 160695376) has the molecular formula C89H110F9N15O8 and a molecular weight of 1688.94 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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde.

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde
PubChem CID160695376
Molecular FormulaC89H110F9N15O8
Molecular Weight1688.94 g/mol
Exact Mass1687.85
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde
SMILESCC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.O=CC(F)(F)F
InChIInChI=1S/C17H19FN2O.C15H22FN3O2.2C15H16FN3O.C13H19FN2O.C12H17FN2O.C2HF3O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;2*16-13-3-1-11(2-4-13)9-14(17)15(20)19-10-12-5-7-18-8-6-12;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;3-2(4,5)1-6/h1-9,16H,10-12,19H2,(H,20,21);1-4,14H,5-11,17H2,(H,18,20);2*1-8,14H,9-10,17H2,(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);1H
InChIKeyRPXVBGOLUZCCLR-UHFFFAOYSA-N
XLogP8.45
TPSA386.04 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.94
LogP ≤ 58.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625276
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080

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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde?
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde (CID 160695376) 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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde.
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde?
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde is CC(C)CNC(=O)C(N)Cc1ccc(F)cc1.CC(C)NC(=O)C(N)Cc1ccc(F)cc1.NC(Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1.NC(Cc1ccc(F)cc1)C(=O)NCCc1ccccc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.NC(Cc1ccc(F)cc1)C(=O)NCc1ccncc1.O=CC(F)(F)F.
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde?
The InChIKey is RPXVBGOLUZCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O.C15H22FN3O2.2C15H16FN3O.C13H19FN2O.C12H17FN2O.C2HF3O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13;16-13-3-1-12(2-4-13)11-14(17)15(20)18-5-6-19-7-9-21-10-8-19;2*16-13-3-1-11(2-4-13)9-14(17)15(20)19-10-12-5-7-18-8-6-12;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;3-2(4,5)1-6/h1-9,16H,10-12,19H2,(H,20,21);1-4,14H,5-11,17H2,(H,18,20);2*1-8,14H,9-10,17H2,(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);1H.
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde?
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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde has a molecular weight of 1688.94 g/mol, XLogP of 8.45, 31 rotatable bonds, 12 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;bis(2-amino-3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)propanamide);2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160695376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).