3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide

C15H13Cl2NO — CID 38295590

IUPAC3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-2-4-11(7-10)9-18-15(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVGBKQVCYVGERQG-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.23
Rot. Bonds3

About 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide

3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 38295590) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
PubChem CID38295590
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-2-4-11(7-10)9-18-15(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVGBKQVCYVGERQG-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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Related Compounds

4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide (CID 38295590) is 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is VGBKQVCYVGERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-3-2-4-11(7-10)9-18-15(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide?
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide 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 3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 38295590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).