5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide

C15H12FN3O2 — CID 82013560

IUPAC5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H12FN3O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-13-4-2-10(16)6-9(13)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyHTKKQMCNLRPQFE-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide

5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide (PubChem CID 82013560) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
PubChem CID82013560
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H12FN3O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-13-4-2-10(16)6-9(13)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyHTKKQMCNLRPQFE-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

N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
5-amino-2-chloro-N-(2-cyano-4-fluorophenyl)-3-prop-2-enylbenzamide
CID 174970215
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
5-amino-2-cyano-N-(4-fluorophenyl)benzamide
CID 122618305
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide (CID 82013560) is 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide?
The InChIKey is HTKKQMCNLRPQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-13-4-2-10(16)6-9(13)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide?
5-amino-N-(2-cyano-4-fluorophenyl)-2-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 5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 82013560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).