3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H17FN2O2 — CID 62524113

IUPAC3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cc(C(=O)NC2(CO)CCCC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c14-10-4-3-9(7-11(10)15)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyDJWFRRVZLCPSRX-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 62524113) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID62524113
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1cc(C(=O)NC2(CO)CCCC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c14-10-4-3-9(7-11(10)15)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyDJWFRRVZLCPSRX-UHFFFAOYSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.44
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

3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62523774
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 62524113) is 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is Nc1cc(C(=O)NC2(CO)CCCC2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is DJWFRRVZLCPSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-4-3-9(7-11(10)15)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8,15H2,(H,16,18).
What are the key properties of 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 62524113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).