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

C17H17BrFNO — CID 11291032

IUPAC4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
SMILESCC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO/c1-17(2,11-12-3-9-15(19)10-4-12)20-16(21)13-5-7-14(18)8-6-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyIRNGYUYKAOSIIS-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.34
Rot. Bonds4

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

4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide (PubChem CID 11291032) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
PubChem CID11291032
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
SMILESCC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO/c1-17(2,11-12-3-9-15(19)10-4-12)20-16(21)13-5-7-14(18)8-6-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyIRNGYUYKAOSIIS-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
CID 118777041
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
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1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
CID 119317253

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide (CID 11291032) is 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide is CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide?
The InChIKey is IRNGYUYKAOSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-17(2,11-12-3-9-15(19)10-4-12)20-16(21)13-5-7-14(18)8-6-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide?
4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide is sourced from PubChem (CID 11291032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).