3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide

C15H12FN3O — CID 60861854

IUPAC3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccccc2C#N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-12(16)6-11(7-13(9)18)15(20)19-14-5-3-2-4-10(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyATCQOMLWZIXGRD-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.84
Rot. Bonds2

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

3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60861854) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
PubChem CID60861854
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccccc2C#N)cc1F
InChIInChI=1S/C15H12FN3O/c1-9-12(16)6-11(7-13(9)18)15(20)19-14-5-3-2-4-10(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyATCQOMLWZIXGRD-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

3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
CID 16788313
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide (CID 60861854) is 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2ccccc2C#N)cc1F.
What is the InChIKey of 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is ATCQOMLWZIXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-12(16)6-11(7-13(9)18)15(20)19-14-5-3-2-4-10(14)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2-cyanophenyl)-5-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 3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60861854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).