4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide

C14H10BrClFNO — CID 24708773

IUPAC4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrClFNO/c1-8-6-10(16)3-5-13(8)18-14(19)11-4-2-9(15)7-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyVWONAAYEGLYFIZ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide

4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide (PubChem CID 24708773) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
PubChem CID24708773
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrClFNO/c1-8-6-10(16)3-5-13(8)18-14(19)11-4-2-9(15)7-12(11)17/h2-7H,1H3,(H,18,19)
InChIKeyVWONAAYEGLYFIZ-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

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CID 78987495
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CID 103763204
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
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4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
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4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
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4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide (CID 24708773) is 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide?
The InChIKey is VWONAAYEGLYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-6-10(16)3-5-13(8)18-14(19)11-4-2-9(15)7-12(11)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide?
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide 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-(4-chloro-2-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 24708773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).