N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide

C14H17FN2O — CID 55191081

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCc1ccc(C#N)cc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)3-6-14(18)17-9-12-5-4-11(8-16)7-13(12)15/h4-5,7,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyDMERXOIAUNDIRH-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.75
Rot. Bonds5

About N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide

N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide (PubChem CID 55191081) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
PubChem CID55191081
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCc1ccc(C#N)cc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)3-6-14(18)17-9-12-5-4-11(8-16)7-13(12)15/h4-5,7,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyDMERXOIAUNDIRH-UHFFFAOYSA-N
XLogP2.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide 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-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
N-[(4-cyano-2-fluorophenyl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75426477
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
methyl 2-[(4-cyano-2-fluorophenyl)methylsulfamoyl]propanoate
CID 63359222
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide (CID 55191081) is N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCc1ccc(C#N)cc1F.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide?
The InChIKey is DMERXOIAUNDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)3-6-14(18)17-9-12-5-4-11(8-16)7-13(12)15/h4-5,7,10H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide?
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide has a molecular weight of 248.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 55191081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).