(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide

C98H106F5N15O15 — CID 173254230

IUPAC(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC(=O)Nc1ccccc1.Cc1ccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)cc1.Cc1cccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H20F3N3O3.2C20H23N3O3.2C19H20FN3O3/c1-13(19(29)24-12-18(28)26-16-8-3-2-4-9-16)25-17(27)11-14-6-5-7-15(10-14)20(21,22)23;1-14-7-6-8-16(11-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-9-4-3-5-10-17;1-14-8-10-16(11-9-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-6-4-3-5-7-17;1-13(22-17(24)11-14-6-5-7-15(20)10-14)19(26)21-12-18(25)23-16-8-3-2-4-9-16;1-13(22-17(24)11-14-7-9-15(20)10-8-14)19(26)21-12-18(25)23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,24,29)(H,25,27)(H,26,28);2*3-11,15H,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25);2*2-10,13H,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t13-;2*15-;2*13-/m00000/s1
InChIKeySVDZFEXPDJPJRA-WFGKDPDJSA-N
MW1829.01 g/mol
LogP9.36
Rot. Bonds35

About (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide

(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide (PubChem CID 173254230) has the molecular formula C98H106F5N15O15 and a molecular weight of 1829.01 g/mol. Its IUPAC name is (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide
PubChem CID173254230
Molecular FormulaC98H106F5N15O15
Molecular Weight1829.01 g/mol
Exact Mass1827.79
IUPAC Name(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC(=O)Nc1ccccc1.Cc1ccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)cc1.Cc1cccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H20F3N3O3.2C20H23N3O3.2C19H20FN3O3/c1-13(19(29)24-12-18(28)26-16-8-3-2-4-9-16)25-17(27)11-14-6-5-7-15(10-14)20(21,22)23;1-14-7-6-8-16(11-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-9-4-3-5-10-17;1-14-8-10-16(11-9-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-6-4-3-5-7-17;1-13(22-17(24)11-14-6-5-7-15(20)10-14)19(26)21-12-18(25)23-16-8-3-2-4-9-16;1-13(22-17(24)11-14-7-9-15(20)10-8-14)19(26)21-12-18(25)23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,24,29)(H,25,27)(H,26,28);2*3-11,15H,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25);2*2-10,13H,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t13-;2*15-;2*13-/m00000/s1
InChIKeySVDZFEXPDJPJRA-WFGKDPDJSA-N
XLogP9.36
TPSA436.50 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.01
LogP ≤ 59.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Analyze (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide with MolForge

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Related Compounds

(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide
CID 70068560
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide
CID 70093718
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22492201
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide (CID 173254230) is (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide is C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)NCC(=O)Nc1ccccc1.C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC(=O)Nc1ccccc1.Cc1ccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)cc1.Cc1cccc(CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc2ccccc2)c1.
What is the InChIKey of (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
The InChIKey is SVDZFEXPDJPJRA-WFGKDPDJSA-N. The full InChI is InChI=1S/C20H20F3N3O3.2C20H23N3O3.2C19H20FN3O3/c1-13(19(29)24-12-18(28)26-16-8-3-2-4-9-16)25-17(27)11-14-6-5-7-15(10-14)20(21,22)23;1-14-7-6-8-16(11-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-9-4-3-5-10-17;1-14-8-10-16(11-9-14)12-18(24)22-15(2)20(26)21-13-19(25)23-17-6-4-3-5-7-17;1-13(22-17(24)11-14-6-5-7-15(20)10-14)19(26)21-12-18(25)23-16-8-3-2-4-9-16;1-13(22-17(24)11-14-7-9-15(20)10-8-14)19(26)21-12-18(25)23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,24,29)(H,25,27)(H,26,28);2*3-11,15H,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25);2*2-10,13H,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t13-;2*15-;2*13-/m00000/s1.
What are the key properties of (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide?
(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide has a molecular weight of 1829.01 g/mol, XLogP of 9.36, 35 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-fluorophenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 173254230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).