3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide

C14H10BrClFNO — CID 107366667

IUPAC3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-2-9(4-10(15)3-8)14(19)18-13-6-11(16)5-12(17)7-13/h2-7H,1H3,(H,18,19)
InChIKeyBQSOQMYZRSJNCA-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide

3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide (PubChem CID 107366667) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
PubChem CID107366667
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-2-9(4-10(15)3-8)14(19)18-13-6-11(16)5-12(17)7-13/h2-7H,1H3,(H,18,19)
InChIKeyBQSOQMYZRSJNCA-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 107370448
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(3-bromo-5-methylphenyl)-3-chloro-5-nitrobenzamide
CID 107583778
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide (CID 107366667) is 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide?
The InChIKey is BQSOQMYZRSJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-2-9(4-10(15)3-8)14(19)18-13-6-11(16)5-12(17)7-13/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide?
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 107366667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).