2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H17FN2O2 — CID 114145929

IUPAC2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H17FN2O2/c14-9-2-4-11(12(15)6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18)
InChIKeyQJGKXRSKMFEJSH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 114145929) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID114145929
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H17FN2O2/c14-9-2-4-11(12(15)6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18)
InChIKeyQJGKXRSKMFEJSH-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 114145929) is 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is Nc1cc(F)ccc1C(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is QJGKXRSKMFEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-9-2-4-11(12(15)6-9)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,15H2,(H,16,18).
What are the key properties of 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 252.29 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 2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 114145929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).