4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide

C20H24FNO — CID 7670865

IUPAC4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C20H24FNO/c1-13(2)15-5-7-16(8-6-15)19(14(3)4)22-20(23)17-9-11-18(21)12-10-17/h5-14,19H,1-4H3,(H,22,23)/t19-/m1/s1
InChIKeyQUEZIBRIHZGKLT-LJQANCHMSA-N
MW313.42 g/mol
LogP5.08
Rot. Bonds5

About 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide

4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide (PubChem CID 7670865) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
PubChem CID7670865
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C20H24FNO/c1-13(2)15-5-7-16(8-6-15)19(14(3)4)22-20(23)17-9-11-18(21)12-10-17/h5-14,19H,1-4H3,(H,22,23)/t19-/m1/s1
InChIKeyQUEZIBRIHZGKLT-LJQANCHMSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 9051064
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide (CID 7670865) is 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide is CC(C)c1ccc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The InChIKey is QUEZIBRIHZGKLT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FNO/c1-13(2)15-5-7-16(8-6-15)19(14(3)4)22-20(23)17-9-11-18(21)12-10-17/h5-14,19H,1-4H3,(H,22,23)/t19-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide has a molecular weight of 313.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide is sourced from PubChem (CID 7670865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).