4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide

C16H13ClN2O2 — CID 107467181

IUPAC4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-4-2-3-13(10-18)15(14)19-16(20)12-7-5-11(9-17)6-8-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyNCCXRXPDVZPGIG-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.56
Rot. Bonds4

About 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide

4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide (PubChem CID 107467181) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
PubChem CID107467181
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-4-2-3-13(10-18)15(14)19-16(20)12-7-5-11(9-17)6-8-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyNCCXRXPDVZPGIG-UHFFFAOYSA-N
XLogP3.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
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-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
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-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide (CID 107467181) is 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide is COc1cccc(C#N)c1NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide?
The InChIKey is NCCXRXPDVZPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-14-4-2-3-13(10-18)15(14)19-16(20)12-7-5-11(9-17)6-8-12/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide?
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide has a molecular weight of 300.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide is sourced from PubChem (CID 107467181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).