2-bromo-4-fluoro-N-(1-phenylethyl)benzamide

C15H13BrFNO — CID 24708890

IUPAC2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(17)9-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyLFXBEBVVDRIRSR-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide

2-bromo-4-fluoro-N-(1-phenylethyl)benzamide (PubChem CID 24708890) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
PubChem CID24708890
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(17)9-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyLFXBEBVVDRIRSR-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
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CID 46579861
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55821144
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
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N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide (CID 24708890) is 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide?
The InChIKey is LFXBEBVVDRIRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(17)9-14(13)16/h2-10H,1H3,(H,18,19).
What are the key properties of 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide?
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide has a molecular weight of 322.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 24708890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).