(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate

C18H16Cl2NO5- — CID 7300191

IUPAC(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H17Cl2NO5/c1-25-15-6-4-10(8-16(15)26-2)14(9-17(22)23)21-18(24)11-3-5-12(19)13(20)7-11/h3-8,14H,9H2,1-2H3,(H,21,24)(H,22,23)/p-1/t14-/m1/s1
InChIKeyGQSFVVOQEBPUEG-CQSZACIVSA-M
MW397.23 g/mol
LogP2.62
Rot. Bonds7

About (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate

(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 7300191) has the molecular formula C18H16Cl2NO5- and a molecular weight of 397.23 g/mol. Its IUPAC name is (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
PubChem CID7300191
Molecular FormulaC18H16Cl2NO5-
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H17Cl2NO5/c1-25-15-6-4-10(8-16(15)26-2)14(9-17(22)23)21-18(24)11-3-5-12(19)13(20)7-11/h3-8,14H,9H2,1-2H3,(H,21,24)(H,22,23)/p-1/t14-/m1/s1
InChIKeyGQSFVVOQEBPUEG-CQSZACIVSA-M
XLogP2.62
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate with MolForge

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Related Compounds

(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
3-[(4-chloro-3-methylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 120684289
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate (CID 7300191) is (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate is COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is GQSFVVOQEBPUEG-CQSZACIVSA-M. The full InChI is InChI=1S/C18H17Cl2NO5/c1-25-15-6-4-10(8-16(15)26-2)14(9-17(22)23)21-18(24)11-3-5-12(19)13(20)7-11/h3-8,14H,9H2,1-2H3,(H,21,24)(H,22,23)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate?
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 397.23 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 7300191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).