N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide

C14H10BrClFNO — CID 112699952

IUPACN-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-4-9(6-11(17)5-8)14(19)18-13-3-2-10(16)7-12(13)15/h2-7H,1H3,(H,18,19)
InChIKeyUHNVVIHFJYMIFS-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide

N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide (PubChem CID 112699952) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
PubChem CID112699952
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-4-9(6-11(17)5-8)14(19)18-13-3-2-10(16)7-12(13)15/h2-7H,1H3,(H,18,19)
InChIKeyUHNVVIHFJYMIFS-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-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
CID 113343049
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide (CID 112699952) is N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is UHNVVIHFJYMIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-4-9(6-11(17)5-8)14(19)18-13-3-2-10(16)7-12(13)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide?
N-(2-bromo-4-chlorophenyl)-3-fluoro-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 N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 112699952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).