3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide

C14H10BrCl2NO — CID 113460618

IUPAC3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-4-9(6-10(15)5-8)14(19)18-13-7-11(16)2-3-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyRSYXTGDJOPDHEJ-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide

3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide (PubChem CID 113460618) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
PubChem CID113460618
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-4-9(6-10(15)5-8)14(19)18-13-7-11(16)2-3-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyRSYXTGDJOPDHEJ-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide (CID 113460618) is 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide?
The InChIKey is RSYXTGDJOPDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-4-9(6-10(15)5-8)14(19)18-13-7-11(16)2-3-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide?
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide has a molecular weight of 359.05 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide is sourced from PubChem (CID 113460618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).