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

C13H8BrClFNO — CID 4168597

IUPAC4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO/c14-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)15/h1-7H,(H,17,18)
InChIKeyGLCLQSQDAYMXSI-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide

4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide (PubChem CID 4168597) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide
PubChem CID4168597
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO/c14-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)15/h1-7H,(H,17,18)
InChIKeyGLCLQSQDAYMXSI-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide (CID 4168597) is 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide is O=C(Nc1ccccc1Cl)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide?
The InChIKey is GLCLQSQDAYMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-8-5-6-9(11(16)7-8)13(18)17-12-4-2-1-3-10(12)15/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide?
4-bromo-N-(2-chlorophenyl)-2-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 4-bromo-N-(2-chlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4168597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).