3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H18N2O2 — CID 55081511

IUPAC3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cccc(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)12(17)15-13(9-16)6-1-2-7-13/h3-5,8,16H,1-2,6-7,9,14H2,(H,15,17)
InChIKeyXAIVNDXDCUTQNO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide

3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 55081511) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID55081511
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cccc(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)12(17)15-13(9-16)6-1-2-7-13/h3-5,8,16H,1-2,6-7,9,14H2,(H,15,17)
InChIKeyXAIVNDXDCUTQNO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide
CID 62522722
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 55081511) is 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide is Nc1cccc(C(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is XAIVNDXDCUTQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)12(17)15-13(9-16)6-1-2-7-13/h3-5,8,16H,1-2,6-7,9,14H2,(H,15,17).
What are the key properties of 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 55081511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).