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

C15H12BrClFNO — CID 60674482

IUPAC4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9(11-4-2-3-5-13(11)17)19-15(20)12-7-6-10(16)8-14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyPBDUYAAHMFRNQJ-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

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

4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 60674482) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID60674482
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9(11-4-2-3-5-13(11)17)19-15(20)12-7-6-10(16)8-14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyPBDUYAAHMFRNQJ-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

2-Chloro-N-phenethyl-benzamide
CID 692233
N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
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CID 2869527
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
2-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 2902535
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
CID 6470536
N-[3-(benzylmethylamino)propyl]-4-bromo-2-fluorobenzamide
CID 41307231
3-Bromo-N-(1-phenylethyl)benzamide
CID 603182
N-[1-(4-bromophenyl)ethyl]benzamide
CID 2854121
3-Chloro-N-(1-phenylethyl)benzamide
CID 2841547
2-chloro-N-cyclopropyl-4-fluorobenzamide
CID 2340609

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide (CID 60674482) is 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1ccc(Br)cc1F)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is PBDUYAAHMFRNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(11-4-2-3-5-13(11)17)19-15(20)12-7-6-10(16)8-14(12)18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide?
4-bromo-N-[1-(2-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 4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 60674482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).