3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

C15H12BrCl2NO — CID 107999288

IUPAC3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-14(18)13(16)8-11/h2-8H,9H2,1H3
InChIKeySDQPCGIHAFRAIF-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.03
Rot. Bonds3

About 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 107999288) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID107999288
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-14(18)13(16)8-11/h2-8H,9H2,1H3
InChIKeySDQPCGIHAFRAIF-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
N-[(3-chlorophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27795202

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (CID 107999288) is 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is SDQPCGIHAFRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-14(18)13(16)8-11/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 373.08 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).