3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide

C15H12BrClFNO — CID 107951673

IUPAC3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(17)8-6-10)19-15(20)12-3-2-4-13(16)14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyWKICBCVMQCRYIF-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide

3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 107951673) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID107951673
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(17)8-6-10)19-15(20)12-3-2-4-13(16)14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyWKICBCVMQCRYIF-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-N-phenethylbenzamide
CID 306479
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
CID 335179
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527
4-Chloro-N-cyclohexylbenzamide
CID 225461
3-bromo-N-isopropylbenzamide
CID 669311
3-bromo-N-phenethylbenzamide
CID 787883
3-Bromo-N-(1-phenylethyl)benzamide
CID 603182
N-[1-(4-bromophenyl)ethyl]benzamide
CID 2854121
N-(butan-2-yl)-4-chlorobenzamide
CID 346666

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide (CID 107951673) is 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is WKICBCVMQCRYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(17)8-6-10)19-15(20)12-3-2-4-13(16)14(12)18/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 107951673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).