5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide

C15H12FN3O — CID 62318012

IUPAC5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H12FN3O/c1-9-2-3-11(18)7-13(9)15(20)19-12-4-5-14(16)10(6-12)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyXOCIDCUNOATOMP-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.84
Rot. Bonds2

About 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide

5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide (PubChem CID 62318012) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
PubChem CID62318012
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H12FN3O/c1-9-2-3-11(18)7-13(9)15(20)19-12-4-5-14(16)10(6-12)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyXOCIDCUNOATOMP-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

5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
5-amino-2-cyano-N-(4-fluorophenyl)benzamide
CID 122618305
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide (CID 62318012) is 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide?
The InChIKey is XOCIDCUNOATOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-2-3-11(18)7-13(9)15(20)19-12-4-5-14(16)10(6-12)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide?
5-amino-N-(3-cyano-4-fluorophenyl)-2-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 5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 62318012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).