N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide

C20H24FNO — CID 46828416

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H24FNO/c1-14(2)20(17-9-11-18(21)12-10-17)22-19(23)13-15(3)16-7-5-4-6-8-16/h4-12,14-15,20H,13H2,1-3H3,(H,22,23)
InChIKeyHURGKEBQCUVTLC-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.83
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide (PubChem CID 46828416) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
PubChem CID46828416
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H24FNO/c1-14(2)20(17-9-11-18(21)12-10-17)22-19(23)13-15(3)16-7-5-4-6-8-16/h4-12,14-15,20H,13H2,1-3H3,(H,22,23)
InChIKeyHURGKEBQCUVTLC-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
(2S)-2-[3-(4-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119366490
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide (CID 46828416) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide is CC(CC(=O)NC(c1ccc(F)cc1)C(C)C)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide?
The InChIKey is HURGKEBQCUVTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14(2)20(17-9-11-18(21)12-10-17)22-19(23)13-15(3)16-7-5-4-6-8-16/h4-12,14-15,20H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide has a molecular weight of 313.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide is sourced from PubChem (CID 46828416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).