2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide

C15H13BrFNO — CID 4782933

IUPAC2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyRLQYROREJCOKGN-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide

2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 4782933) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID4782933
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19)
InChIKeyRLQYROREJCOKGN-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-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
CID 9050935
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 4782933) is 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is RLQYROREJCOKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide?
2-bromo-N-[1-(4-fluorophenyl)ethyl]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-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 4782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).