N-cyano-2-methoxy-N-methyl-6-phenylbenzamide

C16H14N2O2 — CID 90852917

IUPACN-cyano-2-methoxy-N-methyl-6-phenylbenzamide
SMILESCOc1cccc(-c2ccccc2)c1C(=O)N(C)C#N
InChIInChI=1S/C16H14N2O2/c1-18(11-17)16(19)15-13(9-6-10-14(15)20-2)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyGXMNLMOBZCWQEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.92
Rot. Bonds3

About N-cyano-2-methoxy-N-methyl-6-phenylbenzamide

N-cyano-2-methoxy-N-methyl-6-phenylbenzamide (PubChem CID 90852917) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyano-2-methoxy-N-methyl-6-phenylbenzamide.

Molecular Properties

Compound NameN-cyano-2-methoxy-N-methyl-6-phenylbenzamide
PubChem CID90852917
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-cyano-2-methoxy-N-methyl-6-phenylbenzamide
SMILESCOc1cccc(-c2ccccc2)c1C(=O)N(C)C#N
InChIInChI=1S/C16H14N2O2/c1-18(11-17)16(19)15-13(9-6-10-14(15)20-2)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyGXMNLMOBZCWQEJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-N,2-N-dimethoxy-1-N,2-N-dimethyl-3,6-diphenylbenzene-1,2-dicarboxamide
CID 58668872
2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 134110522
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
3-(2-methoxyphenyl)benzoic acid
CID 2759547
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone
CID 132510284
2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-methoxy-N-methyl-6-phenylbenzamide?
The IUPAC name of N-cyano-2-methoxy-N-methyl-6-phenylbenzamide (CID 90852917) is N-cyano-2-methoxy-N-methyl-6-phenylbenzamide.
What is the SMILES notation for N-cyano-2-methoxy-N-methyl-6-phenylbenzamide?
The canonical SMILES for N-cyano-2-methoxy-N-methyl-6-phenylbenzamide is COc1cccc(-c2ccccc2)c1C(=O)N(C)C#N.
What is the InChIKey of N-cyano-2-methoxy-N-methyl-6-phenylbenzamide?
The InChIKey is GXMNLMOBZCWQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(11-17)16(19)15-13(9-6-10-14(15)20-2)12-7-4-3-5-8-12/h3-10H,1-2H3.
What are the key properties of N-cyano-2-methoxy-N-methyl-6-phenylbenzamide?
N-cyano-2-methoxy-N-methyl-6-phenylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-methoxy-N-methyl-6-phenylbenzamide is sourced from PubChem (CID 90852917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).