2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide

C15H11F2N3O — CID 62980898

IUPAC2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1N)c1cccc(C#N)c1
InChIInChI=1S/C15H11F2N3O/c1-20(10-4-2-3-9(5-10)8-18)15(21)11-6-12(16)13(17)7-14(11)19/h2-7H,19H2,1H3
InChIKeyLKXYIZZABDUQGY-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide

2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide (PubChem CID 62980898) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
PubChem CID62980898
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1N)c1cccc(C#N)c1
InChIInChI=1S/C15H11F2N3O/c1-20(10-4-2-3-9(5-10)8-18)15(21)11-6-12(16)13(17)7-14(11)19/h2-7H,19H2,1H3
InChIKeyLKXYIZZABDUQGY-UHFFFAOYSA-N
XLogP2.70
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
CID 79035918
3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 115330802
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775
4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 62981947
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide (CID 62980898) is 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide is CN(C(=O)c1cc(F)c(F)cc1N)c1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide?
The InChIKey is LKXYIZZABDUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-20(10-4-2-3-9(5-10)8-18)15(21)11-6-12(16)13(17)7-14(11)19/h2-7H,19H2,1H3.
What are the key properties of 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide?
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide has a molecular weight of 287.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 62980898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).