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

C17H15ClNO3- — CID 7310731

IUPAC(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
SMILESCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)17(22)19-15(10-16(20)21)12-6-8-14(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m1/s1
InChIKeyUXXZYQYSBVFCEW-OAHLLOKOSA-M
MW316.76 g/mol
LogP2.26
Rot. Bonds5

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

(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate (PubChem CID 7310731) has the molecular formula C17H15ClNO3- and a molecular weight of 316.76 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
PubChem CID7310731
Molecular FormulaC17H15ClNO3-
Molecular Weight316.76 g/mol
Exact Mass316.07
IUPAC Name(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
SMILESCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)17(22)19-15(10-16(20)21)12-6-8-14(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m1/s1
InChIKeyUXXZYQYSBVFCEW-OAHLLOKOSA-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

(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 3685562
(3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-chlorobenzoyl)amino]propanoate
CID 7057828
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 7310436
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
(3S)-3-[(2-bromobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7745785
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate (CID 7310731) is (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate is Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate?
The InChIKey is UXXZYQYSBVFCEW-OAHLLOKOSA-M. The full InChI is InChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)17(22)19-15(10-16(20)21)12-6-8-14(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/p-1/t15-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate?
(3R)-3-(4-chlorophenyl)-3-[(4-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 (3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 7310731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).