2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16ClNO4 — CID 64813698

IUPAC2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c1-20-12-7-8(15)5-6-10(12)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyUNIZKKUZMXRGBY-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.33
Rot. Bonds4

About 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813698) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813698
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c1-20-12-7-8(15)5-6-10(12)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyUNIZKKUZMXRGBY-UHFFFAOYSA-N
XLogP2.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
CID 91836572
5-chloro-N-[(1R,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-2-methoxybenzamide
CID 87983811

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64813698) is 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cc(Cl)ccc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UNIZKKUZMXRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-20-12-7-8(15)5-6-10(12)13(17)16-11-4-2-3-9(11)14(18)19/h5-7,9,11H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).