3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide

C16H13ClN2O2 — CID 107468127

IUPAC3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-12(8-13(17)7-10)16(20)19-15-11(9-18)4-3-5-14(15)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeySGFWIBMYJZKTII-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide

3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide (PubChem CID 107468127) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
PubChem CID107468127
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-12(8-13(17)7-10)16(20)19-15-11(9-18)4-3-5-14(15)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeySGFWIBMYJZKTII-UHFFFAOYSA-N
XLogP3.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide (CID 107468127) is 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide is COc1cccc(C#N)c1NC(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide?
The InChIKey is SGFWIBMYJZKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-12(8-13(17)7-10)16(20)19-15-11(9-18)4-3-5-14(15)21-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide?
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide has a molecular weight of 300.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 107468127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).