2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H17ClN2O2 — CID 106358522

IUPAC2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCCC1CO
InChIInChI=1S/C13H17ClN2O2/c14-9-4-2-5-10(15)12(9)13(18)16-11-6-1-3-8(11)7-17/h2,4-5,8,11,17H,1,3,6-7,15H2,(H,16,18)
InChIKeyGVIBMFRJBYKEGT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 106358522) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID106358522
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCCC1CO
InChIInChI=1S/C13H17ClN2O2/c14-9-4-2-5-10(15)12(9)13(18)16-11-6-1-3-8(11)7-17/h2,4-5,8,11,17H,1,3,6-7,15H2,(H,16,18)
InChIKeyGVIBMFRJBYKEGT-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 106358522) is 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is Nc1cccc(Cl)c1C(=O)NC1CCCC1CO.
What is the InChIKey of 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is GVIBMFRJBYKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-4-2-5-10(15)12(9)13(18)16-11-6-1-3-8(11)7-17/h2,4-5,8,11,17H,1,3,6-7,15H2,(H,16,18).
What are the key properties of 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 106358522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).