2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid

C14H18ClNO2 — CID 79859610

IUPAC2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
SMILESCC1(C)CCCC1Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySYPNBWKCUPDXKS-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.03
Rot. Bonds3

About 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid

2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid (PubChem CID 79859610) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
PubChem CID79859610
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
SMILESCC1(C)CCCC1Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySYPNBWKCUPDXKS-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
3-chloro-4-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872961
2-chloro-5-(spiro[4.5]decan-8-ylamino)benzoic acid
CID 114817395
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid (CID 79859610) is 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid is CC1(C)CCCC1Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid?
The InChIKey is SYPNBWKCUPDXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)7-3-4-12(14)16-9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid?
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid has a molecular weight of 267.76 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 79859610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).