2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide

C16H14FN3O — CID 60959792

IUPAC2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1ccccc1N
InChIInChI=1S/C16H14FN3O/c1-20(16(21)13-4-2-3-5-15(13)19)10-12-8-11(9-18)6-7-14(12)17/h2-8H,10,19H2,1H3
InChIKeyUQVQSGUBUOPCAK-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide

2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 60959792) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID60959792
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1ccccc1N
InChIInChI=1S/C16H14FN3O/c1-20(16(21)13-4-2-3-5-15(13)19)10-12-8-11(9-18)6-7-14(12)17/h2-8H,10,19H2,1H3
InChIKeyUQVQSGUBUOPCAK-UHFFFAOYSA-N
XLogP2.55
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-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-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61107144
5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 35382217
(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide
CID 37414985
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
CID 60945520
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
4-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302758
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide (CID 60959792) is 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1cc(C#N)ccc1F)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is UQVQSGUBUOPCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(16(21)13-4-2-3-5-15(13)19)10-12-8-11(9-18)6-7-14(12)17/h2-8H,10,19H2,1H3.
What are the key properties of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide?
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 283.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60959792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).