4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide

C16H15BrClNO — CID 81308269

IUPAC4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(Br)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-10-4-7-15(11(2)8-10)19(3)16(20)12-5-6-13(17)14(18)9-12/h4-9H,1-3H3
InChIKeyXDSAQWAADIFQGL-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.00
Rot. Bonds2

About 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide

4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide (PubChem CID 81308269) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
PubChem CID81308269
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(Br)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-10-4-7-15(11(2)8-10)19(3)16(20)12-5-6-13(17)14(18)9-12/h4-9H,1-3H3
InChIKeyXDSAQWAADIFQGL-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
N-(2,4-dimethylphenyl)-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63858926
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174274
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide (CID 81308269) is 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide is Cc1ccc(N(C)C(=O)c2ccc(Br)c(Cl)c2)c(C)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide?
The InChIKey is XDSAQWAADIFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-10-4-7-15(11(2)8-10)19(3)16(20)12-5-6-13(17)14(18)9-12/h4-9H,1-3H3.
What are the key properties of 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide?
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 81308269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).