3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide

C16H14BrCl2NO — CID 104851790

IUPAC3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c1-10-6-12(8-13(17)7-10)16(21)20-5-4-11-2-3-14(18)9-15(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,21)
InChIKeyUBAWJVCAESKZLZ-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.04
Rot. Bonds4

About 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide

3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide (PubChem CID 104851790) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
PubChem CID104851790
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c1-10-6-12(8-13(17)7-10)16(21)20-5-4-11-2-3-14(18)9-15(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,21)
InChIKeyUBAWJVCAESKZLZ-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
4-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-sulfanylbenzamide
CID 107021702
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide (CID 104851790) is 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide?
The InChIKey is UBAWJVCAESKZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-10-6-12(8-13(17)7-10)16(21)20-5-4-11-2-3-14(18)9-15(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide?
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide has a molecular weight of 387.10 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 104851790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).