N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide

C15H16F2N2O — CID 82814308

IUPACN-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CC#N)C2CCCC2)c1F
InChIInChI=1S/C15H16F2N2O/c1-10-6-7-12(16)13(14(10)17)15(20)19(9-8-18)11-4-2-3-5-11/h6-7,11H,2-5,9H2,1H3
InChIKeyCNSJCZUJHYXODK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.18
Rot. Bonds3

About N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide

N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide (PubChem CID 82814308) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
PubChem CID82814308
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CC#N)C2CCCC2)c1F
InChIInChI=1S/C15H16F2N2O/c1-10-6-7-12(16)13(14(10)17)15(20)19(9-8-18)11-4-2-3-5-11/h6-7,11H,2-5,9H2,1H3
InChIKeyCNSJCZUJHYXODK-UHFFFAOYSA-N
XLogP3.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-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

N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
N-ethyl-2,6-difluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 82816613
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide (CID 82814308) is N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)N(CC#N)C2CCCC2)c1F.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The InChIKey is CNSJCZUJHYXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-6-7-12(16)13(14(10)17)15(20)19(9-8-18)11-4-2-3-5-11/h6-7,11H,2-5,9H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide has a molecular weight of 278.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82814308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).