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

C15H12FN3O2 — CID 81287674

IUPACN-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2N)ccc1F
InChIInChI=1S/C15H12FN3O2/c1-21-14-7-10(3-4-11(14)16)15(20)19-13-5-2-9(8-17)6-12(13)18/h2-7H,18H2,1H3,(H,19,20)
InChIKeyXANDUXXUSGHZOK-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.54
Rot. Bonds3

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

N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81287674) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
PubChem CID81287674
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2N)ccc1F
InChIInChI=1S/C15H12FN3O2/c1-21-14-7-10(3-4-11(14)16)15(20)19-13-5-2-9(8-17)6-12(13)18/h2-7H,18H2,1H3,(H,19,20)
InChIKeyXANDUXXUSGHZOK-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-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide (CID 81287674) is N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(C#N)cc2N)ccc1F.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is XANDUXXUSGHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-14-7-10(3-4-11(14)16)15(20)19-13-5-2-9(8-17)6-12(13)18/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
N-(2-amino-4-cyanophenyl)-4-fluoro-3-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 N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81287674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).