3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide

C13H17FN2O2 — CID 114117879

IUPAC3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(F)c(N)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-11(14)12(15)6-8/h2,5-6,9-10H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyKLVFLQNAFHIAAQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide

3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide (PubChem CID 114117879) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
PubChem CID114117879
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(F)c(N)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-11(14)12(15)6-8/h2,5-6,9-10H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyKLVFLQNAFHIAAQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
CID 103082472
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
4-amino-N-(3-methoxycyclopentyl)quinoline-2-carboxamide
CID 103099401
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide (CID 114117879) is 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide is COC1CCC(NC(=O)c2ccc(F)c(N)c2)C1.
What is the InChIKey of 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide?
The InChIKey is KLVFLQNAFHIAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-11(14)12(15)6-8/h2,5-6,9-10H,3-4,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide?
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide is sourced from PubChem (CID 114117879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).