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

C14H10Br2ClNO — CID 3480420

IUPAC5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10Br2ClNO/c1-8-6-9(15)3-5-13(8)18-14(19)11-7-10(16)2-4-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyJFPSAXRZFCRBTD-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.43
Rot. Bonds2

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

5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide (PubChem CID 3480420) has the molecular formula C14H10Br2ClNO and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
PubChem CID3480420
Molecular FormulaC14H10Br2ClNO
Molecular Weight403.50 g/mol
Exact Mass400.88
IUPAC Name5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10Br2ClNO/c1-8-6-9(15)3-5-13(8)18-14(19)11-7-10(16)2-4-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyJFPSAXRZFCRBTD-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

N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide (CID 3480420) is 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide is Cc1cc(Br)ccc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide?
The InChIKey is JFPSAXRZFCRBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO/c1-8-6-9(15)3-5-13(8)18-14(19)11-7-10(16)2-4-12(11)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide?
5-bromo-N-(4-bromo-2-methylphenyl)-2-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 5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 3480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).