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

C17H17BrFNO — CID 9050935

IUPAC2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO/c1-11(2)16(12-7-9-13(19)10-8-12)20-17(21)14-5-3-4-6-15(14)18/h3-11,16H,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyOIZGEFKGVQZOBG-INIZCTEOSA-N
MW350.23 g/mol
LogP4.72
Rot. Bonds4

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

2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide (PubChem CID 9050935) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
PubChem CID9050935
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO/c1-11(2)16(12-7-9-13(19)10-8-12)20-17(21)14-5-3-4-6-15(14)18/h3-11,16H,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyOIZGEFKGVQZOBG-INIZCTEOSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
CID 16563664
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
2-bromo-N-[1-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3903943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide (CID 9050935) is 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide?
The InChIKey is OIZGEFKGVQZOBG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11(2)16(12-7-9-13(19)10-8-12)20-17(21)14-5-3-4-6-15(14)18/h3-11,16H,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide?
2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 9050935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).