N-(2-chlorophenyl)-3,4-dimethoxybenzamide

C15H14ClNO3 — CID 791888

IUPACN-(2-chlorophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H14ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,17,18)
InChIKeyIWUMYYACIJWYBI-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.61
Rot. Bonds4

About N-(2-chlorophenyl)-3,4-dimethoxybenzamide

N-(2-chlorophenyl)-3,4-dimethoxybenzamide (PubChem CID 791888) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,4-dimethoxybenzamide
PubChem CID791888
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-(2-chlorophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H14ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,17,18)
InChIKeyIWUMYYACIJWYBI-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-chlorophenyl)-3,4-dimethoxybenzamide (CID 791888) is N-(2-chlorophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-3,4-dimethoxybenzamide?
The InChIKey is IWUMYYACIJWYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-3,4-dimethoxybenzamide?
N-(2-chlorophenyl)-3,4-dimethoxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 791888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).