1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 43396507

IUPAC1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C15H18ClNO4/c1-21-12-5-4-10(8-11(12)16)17-13(18)9-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZXLORTJYUJCCSQ-UHFFFAOYSA-N
MW311.76 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43396507) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43396507
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C15H18ClNO4/c1-21-12-5-4-10(8-11(12)16)17-13(18)9-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZXLORTJYUJCCSQ-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535570
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
sodium 1-[2-(3-chloro-4-propoxyanilino)-2-oxoethyl]cyclobutane-1-carboxylate
CID 167850228
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43396507) is 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZXLORTJYUJCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-21-12-5-4-10(8-11(12)16)17-13(18)9-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43396507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).