(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide

C16H24FNO — CID 95213981

IUPAC(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-11(2)12(3)9-16(19)18-13(4)10-14-5-7-15(17)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyQECGDRKVKPHXAD-STQMWFEESA-N
MW265.37 g/mol
LogP3.56
Rot. Bonds6

About (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide

(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide (PubChem CID 95213981) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
PubChem CID95213981
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-11(2)12(3)9-16(19)18-13(4)10-14-5-7-15(17)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyQECGDRKVKPHXAD-STQMWFEESA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 97223641
N-[1-(4-fluorophenyl)propan-2-yl]-2-piperidin-3-ylacetamide
CID 63010220
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide?
The IUPAC name of (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide (CID 95213981) is (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide.
What is the SMILES notation for (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide?
The canonical SMILES for (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide is CC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1.
What is the InChIKey of (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide?
The InChIKey is QECGDRKVKPHXAD-STQMWFEESA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)12(3)9-16(19)18-13(4)10-14-5-7-15(17)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide?
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide has a molecular weight of 265.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide is sourced from PubChem (CID 95213981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).