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

C13H16ClNO2 — CID 63081490

IUPAC4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
SMILESCN(c1cc(Cl)ccc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-15(10-4-2-3-5-10)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyOVOCGRUZKLEJLE-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid

4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid (PubChem CID 63081490) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
PubChem CID63081490
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
SMILESCN(c1cc(Cl)ccc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c1-15(10-4-2-3-5-10)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyOVOCGRUZKLEJLE-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid (CID 63081490) is 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid is CN(c1cc(Cl)ccc1C(=O)O)C1CCCC1.
What is the InChIKey of 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid?
The InChIKey is OVOCGRUZKLEJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15(10-4-2-3-5-10)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid?
4-chloro-2-[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 4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid is sourced from PubChem (CID 63081490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).