(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid

C19H19Cl2NO4 — CID 7044725

IUPAC(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-8-5-13(20)10-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyOPCIPTMOZIXPGV-QGZVFWFLSA-N
MW396.27 g/mol
LogP4.73
Rot. Bonds8

About (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid

(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid (PubChem CID 7044725) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
PubChem CID7044725
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-8-5-13(20)10-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyOPCIPTMOZIXPGV-QGZVFWFLSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2-chloro-4-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7300585
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044686
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3S)-3-[(4-methylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044731
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7300620
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 3919338
(3S)-3-[(2-chloro-4-fluorobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 51518916
3-(4-propoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 4182201
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
(3R)-3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7300624

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid (CID 7044725) is (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid is CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid?
The InChIKey is OPCIPTMOZIXPGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-8-5-13(20)10-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid?
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid has a molecular weight of 396.27 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 7044725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).