N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide

C15H12FN3O — CID 78965367

IUPACN-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-2-4-11(7-12(9)16)15(20)19-14-5-3-10(8-17)6-13(14)18/h2-7H,18H2,1H3,(H,19,20)
InChIKeyMISFXVIGWDAQFM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.84
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide

N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide (PubChem CID 78965367) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
PubChem CID78965367
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-2-4-11(7-12(9)16)15(20)19-14-5-3-10(8-17)6-13(14)18/h2-7H,18H2,1H3,(H,19,20)
InChIKeyMISFXVIGWDAQFM-UHFFFAOYSA-N
XLogP2.84
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide (CID 78965367) is N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C#N)cc2N)cc1F.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is MISFXVIGWDAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-2-4-11(7-12(9)16)15(20)19-14-5-3-10(8-17)6-13(14)18/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide?
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 269.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 78965367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).