3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide

C15H11BrCl2FNO — CID 107951759

IUPAC3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H11BrCl2FNO/c1-20(8-12-13(18)3-2-4-14(12)19)15(21)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3
InChIKeyAWVYWVANKDIMJA-UHFFFAOYSA-N
MW391.07 g/mol
LogP5.17
Rot. Bonds3

About 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide

3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 107951759) has the molecular formula C15H11BrCl2FNO and a molecular weight of 391.07 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID107951759
Molecular FormulaC15H11BrCl2FNO
Molecular Weight391.07 g/mol
Exact Mass388.94
IUPAC Name3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H11BrCl2FNO/c1-20(8-12-13(18)3-2-4-14(12)19)15(21)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3
InChIKeyAWVYWVANKDIMJA-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.07
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide (CID 107951759) is 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is AWVYWVANKDIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2FNO/c1-20(8-12-13(18)3-2-4-14(12)19)15(21)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 391.07 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107951759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).