(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate

C18H18ClN2O3- — CID 6937101

IUPAC(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
SMILESCN(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)15-9-5-12(6-10-15)16(11-17(22)23)20-18(24)13-3-7-14(19)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,24)(H,22,23)/p-1/t16-/m0/s1
InChIKeySAXJVFTTWMMNML-INIZCTEOSA-M
MW345.81 g/mol
LogP2.02
Rot. Bonds6

About (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate

(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate (PubChem CID 6937101) has the molecular formula C18H18ClN2O3- and a molecular weight of 345.81 g/mol. Its IUPAC name is (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate.

Molecular Properties

Compound Name(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
PubChem CID6937101
Molecular FormulaC18H18ClN2O3-
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
SMILESCN(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)15-9-5-12(6-10-15)16(11-17(22)23)20-18(24)13-3-7-14(19)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,24)(H,22,23)/p-1/t16-/m0/s1
InChIKeySAXJVFTTWMMNML-INIZCTEOSA-M
XLogP2.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
(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
3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 3685562
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 7310436
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate?
The IUPAC name of (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate (CID 6937101) is (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate.
What is the SMILES notation for (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate?
The canonical SMILES for (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate is CN(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate?
The InChIKey is SAXJVFTTWMMNML-INIZCTEOSA-M. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(2)15-9-5-12(6-10-15)16(11-17(22)23)20-18(24)13-3-7-14(19)8-4-13/h3-10,16H,11H2,1-2H3,(H,20,24)(H,22,23)/p-1/t16-/m0/s1.
What are the key properties of (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate?
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate has a molecular weight of 345.81 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate is sourced from PubChem (CID 6937101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).