2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid

C13H16ClNO2 — CID 43267297

IUPAC2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(Cl)c1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-15(9-5-2-3-6-9)11-8-4-7-10(14)12(11)13(16)17/h4,7-9H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyZLYDJKFTPSGRSN-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid

2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid (PubChem CID 43267297) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
PubChem CID43267297
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(Cl)c1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-15(9-5-2-3-6-9)11-8-4-7-10(14)12(11)13(16)17/h4,7-9H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyZLYDJKFTPSGRSN-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 61446336
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
CID 79115109
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
CID 113332437
2-chloro-6-[methyl(pentan-3-yl)amino]benzoic acid
CID 43571282
2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]benzoic acid
CID 79511856
2,6-dichloro-N,N-dicyclohexylbenzamide
CID 3555098
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
2-chloro-6-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 55079558
2-chloro-N'-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 76945394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid (CID 43267297) is 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid is CN(c1cccc(Cl)c1C(=O)O)C1CCCC1.
What is the InChIKey of 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid?
The InChIKey is ZLYDJKFTPSGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15(9-5-2-3-6-9)11-8-4-7-10(14)12(11)13(16)17/h4,7-9H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid?
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid has a molecular weight of 253.73 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid is sourced from PubChem (CID 43267297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).