N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide

C15H12BrCl2NO — CID 60630835

IUPACN-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3
InChIKeyQGAMLJQXHGCZQK-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.03
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide

N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide (PubChem CID 60630835) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
PubChem CID60630835
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC NameN-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3
InChIKeyQGAMLJQXHGCZQK-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

2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
CID 55365341
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62240529
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide (CID 60630835) is N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide is CN(Cc1ccccc1Br)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The InChIKey is QGAMLJQXHGCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
N-[(2-bromophenyl)methyl]-2,6-dichloro-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 N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide is sourced from PubChem (CID 60630835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).