3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide

C13H18FN3O — CID 79462509

IUPAC3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCC(N)C1
InChIInChI=1S/C13H18FN3O/c1-7-11(14)4-8(13(16)18)5-12(7)17-10-3-2-9(15)6-10/h4-5,9-10,17H,2-3,6,15H2,1H3,(H2,16,18)
InChIKeyGEFZPUQIJWLKCF-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.52
Rot. Bonds3

About 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide

3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide (PubChem CID 79462509) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
PubChem CID79462509
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCC(N)C1
InChIInChI=1S/C13H18FN3O/c1-7-11(14)4-8(13(16)18)5-12(7)17-10-3-2-9(15)6-10/h4-5,9-10,17H,2-3,6,15H2,1H3,(H2,16,18)
InChIKeyGEFZPUQIJWLKCF-UHFFFAOYSA-N
XLogP1.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide 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

3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid
CID 79461554
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
CID 55902715
methyl 5-[(3-aminocyclopentyl)amino]-2,4-difluorobenzoate
CID 79461119
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466263
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate
CID 79462743

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide (CID 79462509) is 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC1CCC(N)C1.
What is the InChIKey of 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide?
The InChIKey is GEFZPUQIJWLKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-7-11(14)4-8(13(16)18)5-12(7)17-10-3-2-9(15)6-10/h4-5,9-10,17H,2-3,6,15H2,1H3,(H2,16,18).
What are the key properties of 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide?
3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 79462509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).