(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C17H14Cl2NO4- — CID 7291163

IUPAC(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-24-12-5-2-10(3-6-12)15(9-16(21)22)20-17(23)13-7-4-11(18)8-14(13)19/h2-8,15H,9H2,1H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1
InChIKeyQHPPNJXAAAPIOO-OAHLLOKOSA-M
MW367.21 g/mol
LogP2.61
Rot. Bonds6

About (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 7291163) has the molecular formula C17H14Cl2NO4- and a molecular weight of 367.21 g/mol. Its IUPAC name is (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID7291163
Molecular FormulaC17H14Cl2NO4-
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-24-12-5-2-10(3-6-12)15(9-16(21)22)20-17(23)13-7-4-11(18)8-14(13)19/h2-8,15H,9H2,1H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1
InChIKeyQHPPNJXAAAPIOO-OAHLLOKOSA-M
XLogP2.61
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3S)-3-[(2-chloro-4-fluorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 51518916
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044686
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044725
(3S)-3-(3-chlorophenyl)-3-[(4-methoxy-2-methylsulfanylbenzoyl)amino]propanoate
CID 7319187
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 7343428
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 7291163) is (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is QHPPNJXAAAPIOO-OAHLLOKOSA-M. The full InChI is InChI=1S/C17H15Cl2NO4/c1-24-12-5-2-10(3-6-12)15(9-16(21)22)20-17(23)13-7-4-11(18)8-14(13)19/h2-8,15H,9H2,1H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1.
What are the key properties of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 367.21 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 7291163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).