3-bromo-2-chloro-5-methylbenzamide

C8H7BrClNO — CID 131538692

IUPAC3-bromo-2-chloro-5-methylbenzamide
SMILESCc1cc(Br)c(Cl)c(C(N)=O)c1
InChIInChI=1S/C8H7BrClNO/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H2,11,12)
InChIKeyYFQBVDGZNYPAKR-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.51
Rot. Bonds1

About 3-bromo-2-chloro-5-methylbenzamide

3-bromo-2-chloro-5-methylbenzamide (PubChem CID 131538692) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-5-methylbenzamide
PubChem CID131538692
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name3-bromo-2-chloro-5-methylbenzamide
SMILESCc1cc(Br)c(Cl)c(C(N)=O)c1
InChIInChI=1S/C8H7BrClNO/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H2,11,12)
InChIKeyYFQBVDGZNYPAKR-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2,5-dichlorobenzamide
CID 131599127
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
3-chloro-2,5-dimethylbenzamide
CID 171008035
5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
CID 175922487
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
1-(3-amino-2-chloro-5-methylphenyl)-2-bromoethanone
CID 171022435
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
3-bromo-2,5-dimethylbenzoic acid
CID 59238245
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
bis[3-bromo-2-(bromomethyl)-5-methylphenyl]methanone
CID 139698646
3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
CID 171032809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-methylbenzamide?
The IUPAC name of 3-bromo-2-chloro-5-methylbenzamide (CID 131538692) is 3-bromo-2-chloro-5-methylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-5-methylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-5-methylbenzamide is Cc1cc(Br)c(Cl)c(C(N)=O)c1.
What is the InChIKey of 3-bromo-2-chloro-5-methylbenzamide?
The InChIKey is YFQBVDGZNYPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H2,11,12).
What are the key properties of 3-bromo-2-chloro-5-methylbenzamide?
3-bromo-2-chloro-5-methylbenzamide has a molecular weight of 248.51 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-methylbenzamide is sourced from PubChem (CID 131538692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).