2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide

C15H12FN3O2 — CID 60954359

IUPAC2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H12FN3O2/c1-21-9-5-6-13(18)10(7-9)15(20)19-14-4-2-3-12(16)11(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyLVUVEGPCDGTHIK-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide

2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide (PubChem CID 60954359) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
PubChem CID60954359
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H12FN3O2/c1-21-9-5-6-13(18)10(7-9)15(20)19-14-4-2-3-12(16)11(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyLVUVEGPCDGTHIK-UHFFFAOYSA-N
XLogP2.54
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
CID 43580325
2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methoxybenzamide
CID 82799632
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide (CID 60954359) is 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
The InChIKey is LVUVEGPCDGTHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-9-5-6-13(18)10(7-9)15(20)19-14-4-2-3-12(16)11(14)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide?
2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide has a molecular weight of 285.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 60954359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).