N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide

C16H14N2O3 — CID 62980842

IUPACN-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(O)c1
InChIInChI=1S/C16H14N2O3/c1-18(12-5-3-11(10-17)4-6-12)16(20)14-8-7-13(21-2)9-15(14)19/h3-9,19H,1-2H3
InChIKeySWYPFDDRHGVIGV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds3

About N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide

N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 62980842) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID62980842
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(O)c1
InChIInChI=1S/C16H14N2O3/c1-18(12-5-3-11(10-17)4-6-12)16(20)14-8-7-13(21-2)9-15(14)19/h3-9,19H,1-2H3
InChIKeySWYPFDDRHGVIGV-UHFFFAOYSA-N
XLogP2.55
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107729726
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide (CID 62980842) is N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(O)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is SWYPFDDRHGVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18(12-5-3-11(10-17)4-6-12)16(20)14-8-7-13(21-2)9-15(14)19/h3-9,19H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 62980842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).