N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide

C15H22FNO2 — CID 5180780

IUPACN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCCC(O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-11(2)17(12(3)18)10-4-5-15(19)13-6-8-14(16)9-7-13/h6-9,11,15,19H,4-5,10H2,1-3H3
InChIKeyXCUFEXMCAGHKCA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide

N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide (PubChem CID 5180780) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide
PubChem CID5180780
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCCC(O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-11(2)17(12(3)18)10-4-5-15(19)13-6-8-14(16)9-7-13/h6-9,11,15,19H,4-5,10H2,1-3H3
InChIKeyXCUFEXMCAGHKCA-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
1-(4-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62630002
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
1-(4-fluorophenyl)-4-sulfanylbutan-1-ol
CID 142725948
4-[3-(4-fluorophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 60825387
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide (CID 5180780) is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide is CC(=O)N(CCCC(O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide?
The InChIKey is XCUFEXMCAGHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(2)17(12(3)18)10-4-5-15(19)13-6-8-14(16)9-7-13/h6-9,11,15,19H,4-5,10H2,1-3H3.
What are the key properties of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide?
N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide has a molecular weight of 267.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 5180780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).