N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide

C13H8BrClFNO — CID 103479730

IUPACN-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cccc(F)c1
InChIInChI=1S/C13H8BrClFNO/c14-12-10(15)5-2-6-11(12)17-13(18)8-3-1-4-9(16)7-8/h1-7H,(H,17,18)
InChIKeyPRIMLVMFGDFTHP-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide

N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide (PubChem CID 103479730) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
PubChem CID103479730
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cccc(F)c1
InChIInChI=1S/C13H8BrClFNO/c14-12-10(15)5-2-6-11(12)17-13(18)8-3-1-4-9(16)7-8/h1-7H,(H,17,18)
InChIKeyPRIMLVMFGDFTHP-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide (CID 103479730) is N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide is O=C(Nc1cccc(Cl)c1Br)c1cccc(F)c1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide?
The InChIKey is PRIMLVMFGDFTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-12-10(15)5-2-6-11(12)17-13(18)8-3-1-4-9(16)7-8/h1-7H,(H,17,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide?
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide has a molecular weight of 328.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 103479730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).