N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide

C15H12N2O3 — CID 79726945

IUPACN-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1O
InChIInChI=1S/C15H12N2O3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,1H3,(H,17,19)
InChIKeyLBRQLGHDNKXPFG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.52
Rot. Bonds3

About N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide

N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79726945) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79726945
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1O
InChIInChI=1S/C15H12N2O3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,1H3,(H,17,19)
InChIKeyLBRQLGHDNKXPFG-UHFFFAOYSA-N
XLogP2.52
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide (CID 79726945) is N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1O.
What is the InChIKey of N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is LBRQLGHDNKXPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,1H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 268.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79726945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).