2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide

C15H13BrFNO — CID 103733626

IUPAC2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-3-2-4-7-11)18-15(19)14-12(16)8-5-9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyNHLNNWMJCIVJLD-SNVBAGLBSA-N
MW322.18 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide

2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 103733626) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
PubChem CID103733626
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-3-2-4-7-11)18-15(19)14-12(16)8-5-9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyNHLNNWMJCIVJLD-SNVBAGLBSA-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-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115678760
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
CID 115678854
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide (CID 103733626) is 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1c(F)cccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is NHLNNWMJCIVJLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(11-6-3-2-4-7-11)18-15(19)14-12(16)8-5-9-13(14)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide?
2-bromo-6-fluoro-N-[(1R)-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-6-fluoro-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 103733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).