3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate

C17H15ClNO3- — CID 3685562

IUPAC3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NC(CC(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-4-2-3-5-14(11)17(22)19-15(10-16(20)21)12-6-8-13(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1
InChIKeyVBXADSYAHBDMSY-UHFFFAOYSA-M
MW316.76 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate

3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 3685562) has the molecular formula C17H15ClNO3- and a molecular weight of 316.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
PubChem CID3685562
Molecular FormulaC17H15ClNO3-
Molecular Weight316.76 g/mol
Exact Mass316.07
IUPAC Name3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NC(CC(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-4-2-3-5-14(11)17(22)19-15(10-16(20)21)12-6-8-13(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1
InChIKeyVBXADSYAHBDMSY-UHFFFAOYSA-M
XLogP2.26
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
(3S)-3-[(2-bromobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7745785
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101
(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate (CID 3685562) is 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate is Cc1ccccc1C(=O)NC(CC(=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is VBXADSYAHBDMSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO3/c1-11-4-2-3-5-14(11)17(22)19-15(10-16(20)21)12-6-8-13(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1.
What are the key properties of 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 316.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 3685562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).