4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H18N2O2 — CID 113266858

IUPAC4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C13H18N2O2/c14-11-6-4-9(5-7-11)13(17)15-12-3-1-2-10(12)8-16/h4-7,10,12,16H,1-3,8,14H2,(H,15,17)
InChIKeyXAGBLXISBSEVJW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.16
Rot. Bonds3

About 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide

4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 113266858) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID113266858
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C13H18N2O2/c14-11-6-4-9(5-7-11)13(17)15-12-3-1-2-10(12)8-16/h4-7,10,12,16H,1-3,8,14H2,(H,15,17)
InChIKeyXAGBLXISBSEVJW-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.16
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

4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 113266858) is 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide is Nc1ccc(C(=O)NC2CCCC2CO)cc1.
What is the InChIKey of 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is XAGBLXISBSEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-6-4-9(5-7-11)13(17)15-12-3-1-2-10(12)8-16/h4-7,10,12,16H,1-3,8,14H2,(H,15,17).
What are the key properties of 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 113266858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).