2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide

C15H13Cl2NO — CID 885603

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-2-7-13(14(17)8-10)15(19)18-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJFRDZWMGDJCJKQ-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.23
Rot. Bonds3

About 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide

2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide (PubChem CID 885603) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide
PubChem CID885603
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-2-7-13(14(17)8-10)15(19)18-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJFRDZWMGDJCJKQ-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide (CID 885603) is 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide?
The InChIKey is JFRDZWMGDJCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-2-7-13(14(17)8-10)15(19)18-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide?
2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide has a molecular weight of 294.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 885603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).