2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide

C14H10Br2ClNO — CID 113221431

IUPAC2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1Br
InChIInChI=1S/C14H10Br2ClNO/c1-8-6-10(3-5-12(8)15)18-14(19)11-7-9(17)2-4-13(11)16/h2-7H,1H3,(H,18,19)
InChIKeyYVRIQIJAXGRSHR-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.43
Rot. Bonds2

About 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide

2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide (PubChem CID 113221431) has the molecular formula C14H10Br2ClNO and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
PubChem CID113221431
Molecular FormulaC14H10Br2ClNO
Molecular Weight403.50 g/mol
Exact Mass400.88
IUPAC Name2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1Br
InChIInChI=1S/C14H10Br2ClNO/c1-8-6-10(3-5-12(8)15)18-14(19)11-7-9(17)2-4-13(11)16/h2-7H,1H3,(H,18,19)
InChIKeyYVRIQIJAXGRSHR-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 28532000
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
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2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
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CID 2505928
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
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N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide (CID 113221431) is 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide?
The InChIKey is YVRIQIJAXGRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO/c1-8-6-10(3-5-12(8)15)18-14(19)11-7-9(17)2-4-13(11)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide?
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide has a molecular weight of 403.50 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide is sourced from PubChem (CID 113221431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).