2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide

C14H10Br2ClNO — CID 113345152

IUPAC2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2ClNO/c1-8-12(17)3-2-4-13(8)18-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,18,19)
InChIKeyGIUQSYZBNABQNB-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.43
Rot. Bonds2

About 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide

2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide (PubChem CID 113345152) has the molecular formula C14H10Br2ClNO and a molecular weight of 403.50 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
PubChem CID113345152
Molecular FormulaC14H10Br2ClNO
Molecular Weight403.50 g/mol
Exact Mass400.88
IUPAC Name2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2ClNO/c1-8-12(17)3-2-4-13(8)18-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,18,19)
InChIKeyGIUQSYZBNABQNB-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

2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
2-amino-5-bromo-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 55042996
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
CID 103886633
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide (CID 113345152) is 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide?
The InChIKey is GIUQSYZBNABQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO/c1-8-12(17)3-2-4-13(8)18-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide?
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide 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 2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 113345152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).