4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide

C12H16FN3O — CID 55169514

IUPAC4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NC2CCCC2N)c(F)c1
InChIInChI=1S/C12H16FN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17)
InChIKeyOAAITFYWFGDKQM-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.22
Rot. Bonds3

About 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide

4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide (PubChem CID 55169514) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
PubChem CID55169514
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NC2CCCC2N)c(F)c1
InChIInChI=1S/C12H16FN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17)
InChIKeyOAAITFYWFGDKQM-UHFFFAOYSA-N
XLogP1.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907
2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
CID 102738776
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
5-[3-[[(1R,2S)-2-aminocyclohexyl]amino]-N,4-difluoroanilino]pyridine-3-carboxamide
CID 140657167
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide
CID 66197069
4-[(2-aminocyclohexyl)amino]-2,3-difluorobenzoic acid
CID 79841267
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
4-fluoro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 82852777
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide (CID 55169514) is 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide is NC(=O)c1ccc(NC2CCCC2N)c(F)c1.
What is the InChIKey of 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide?
The InChIKey is OAAITFYWFGDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17).
What are the key properties of 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide?
4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide has a molecular weight of 237.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide is sourced from PubChem (CID 55169514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).