3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide

C13H17FN2O — CID 60861850

IUPAC3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCCC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-8-11(14)6-9(7-12(8)15)13(17)16-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3,(H,16,17)
InChIKeyPRLXQPQBSCFXQW-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.39
Rot. Bonds2

About 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide

3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide (PubChem CID 60861850) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
PubChem CID60861850
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCCC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-8-11(14)6-9(7-12(8)15)13(17)16-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3,(H,16,17)
InChIKeyPRLXQPQBSCFXQW-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61316994
cyclopentyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309816
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide (CID 60861850) is 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NC2CCCC2)cc1F.
What is the InChIKey of 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide?
The InChIKey is PRLXQPQBSCFXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-11(14)6-9(7-12(8)15)13(17)16-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide?
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60861850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).