N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide

C16H22FNO3 — CID 46994143

IUPACN-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide
SMILESCCC(CO)N(Cc1ccc(F)cc1)C(=O)CCC(C)=O
InChIInChI=1S/C16H22FNO3/c1-3-15(11-19)18(16(21)9-4-12(2)20)10-13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-11H2,1-2H3
InChIKeyMRWGKHDKLXFXFL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.29
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide

N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide (PubChem CID 46994143) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide
PubChem CID46994143
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide
SMILESCCC(CO)N(Cc1ccc(F)cc1)C(=O)CCC(C)=O
InChIInChI=1S/C16H22FNO3/c1-3-15(11-19)18(16(21)9-4-12(2)20)10-13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-11H2,1-2H3
InChIKeyMRWGKHDKLXFXFL-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide
CID 66486366
2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132650363
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-N-[(4-methyl-3-nitrophenyl)methyl]acetamide
CID 154879725
N-[(4-fluorophenyl)methyl]-N-silylpentan-3-amine
CID 174248167
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574041
2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132655600
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 100575272
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 132668007

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide (CID 46994143) is N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide is CCC(CO)N(Cc1ccc(F)cc1)C(=O)CCC(C)=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide?
The InChIKey is MRWGKHDKLXFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-15(11-19)18(16(21)9-4-12(2)20)10-13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide?
N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide has a molecular weight of 295.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide is sourced from PubChem (CID 46994143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).