4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide

C16H15BrFNO — CID 9089971

IUPAC4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZRMBFQQHKBJSOR-NSHDSACASA-N
MW336.20 g/mol
LogP4.12
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide

4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 9089971) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID9089971
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZRMBFQQHKBJSOR-NSHDSACASA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-bromo-2-fluorobenzoate
CID 9388036
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4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
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4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
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2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
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2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
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N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide (CID 9089971) is 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide is C[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is ZRMBFQQHKBJSOR-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(12-5-3-2-4-6-12)10-19-16(20)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 9089971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).