2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid

C14H18ClNO2 — CID 63830913

IUPAC2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
SMILESCC1(CNc2ccc(C(=O)O)c(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(6-2-3-7-14)9-16-10-4-5-11(13(17)18)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWXROYXZOHOYYPY-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid

2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid (PubChem CID 63830913) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
PubChem CID63830913
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
SMILESCC1(CNc2ccc(C(=O)O)c(Cl)c2)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(6-2-3-7-14)9-16-10-4-5-11(13(17)18)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWXROYXZOHOYYPY-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
2-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 115455535
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
4-bromo-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 114907382
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
4-bromo-2-[(1-methylcyclohexyl)methylamino]benzoic acid
CID 114095147
2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511718
2-chloro-4-(prop-2-enylamino)benzoic acid
CID 62945583
2-amino-3-methyl-5-[(1-methylcyclobutyl)methylamino]benzoic acid
CID 114107353
2-chloro-4-[(3-methylcyclohexyl)methylamino]benzoic acid
CID 114131828
2-chloro-4-(3-methylsulfanylpropylamino)benzoic acid
CID 63963389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid (CID 63830913) is 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid is CC1(CNc2ccc(C(=O)O)c(Cl)c2)CCCC1.
What is the InChIKey of 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid?
The InChIKey is WXROYXZOHOYYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(6-2-3-7-14)9-16-10-4-5-11(13(17)18)12(15)8-10/h4-5,8,16H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid?
2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid has a molecular weight of 267.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid is sourced from PubChem (CID 63830913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).