N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide

C16H14N2O2 — CID 62982758

IUPACN-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14N2O2/c1-18(14-8-6-12(11-17)7-9-14)16(19)13-4-3-5-15(10-13)20-2/h3-10H,1-2H3
InChIKeyPJSYUYQENYZZCP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.84
Rot. Bonds3

About N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide

N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide (PubChem CID 62982758) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
PubChem CID62982758
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14N2O2/c1-18(14-8-6-12(11-17)7-9-14)16(19)13-4-3-5-15(10-13)20-2/h3-10H,1-2H3
InChIKeyPJSYUYQENYZZCP-UHFFFAOYSA-N
XLogP2.84
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
3-[(4-cyanophenoxy)methyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86954216
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide (CID 62982758) is N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide?
The InChIKey is PJSYUYQENYZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(14-8-6-12(11-17)7-9-14)16(19)13-4-3-5-15(10-13)20-2/h3-10H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide?
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 62982758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).