4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide

C14H10BrClFNO — CID 112705655

IUPAC4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(2-4-11(8)15)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyYQRJPWJBISZJGH-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide

4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide (PubChem CID 112705655) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
PubChem CID112705655
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(2-4-11(8)15)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyYQRJPWJBISZJGH-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

N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
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N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
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N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide (CID 112705655) is 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide?
The InChIKey is YQRJPWJBISZJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-6-9(2-4-11(8)15)14(19)18-13-5-3-10(17)7-12(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide?
4-bromo-N-(2-chloro-4-fluorophenyl)-3-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 4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 112705655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).