(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate

C19H18Cl2NO4- — CID 7044686

IUPAC(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-10-13(20)5-8-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/p-1/t17-/m0/s1
InChIKeyJRZFZHMDODLMIS-KRWDZBQOSA-M
MW395.26 g/mol
LogP3.39
Rot. Bonds8

About (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate

(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate (PubChem CID 7044686) has the molecular formula C19H18Cl2NO4- and a molecular weight of 395.26 g/mol. Its IUPAC name is (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate.

Molecular Properties

Compound Name(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
PubChem CID7044686
Molecular FormulaC19H18Cl2NO4-
Molecular Weight395.26 g/mol
Exact Mass394.06
IUPAC Name(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-10-13(20)5-8-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/p-1/t17-/m0/s1
InChIKeyJRZFZHMDODLMIS-KRWDZBQOSA-M
XLogP3.39
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7300624
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044725
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044672
(3R)-3-[(2-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7298139
(3R)-3-[(2-chloro-4-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7300585
3-(4-propoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 4182215
(3S)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7298220
3-[(2-methyl-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 4182076
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
(3S)-3-[(3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044662
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The IUPAC name of (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate (CID 7044686) is (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate.
What is the SMILES notation for (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The canonical SMILES for (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate is CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The InChIKey is JRZFZHMDODLMIS-KRWDZBQOSA-M. 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)15-10-13(20)5-8-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24)/p-1/t17-/m0/s1.
What are the key properties of (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate has a molecular weight of 395.26 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate is sourced from PubChem (CID 7044686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).