N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide

C17H24FNO2 — CID 111538966

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(Cc1cccc(F)c1)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H24FNO2/c1-13(10-14-6-5-7-15(18)11-14)19-16(20)12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20)
InChIKeyAWQXJKBYNZLIGT-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111538966) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111538966
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(Cc1cccc(F)c1)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H24FNO2/c1-13(10-14-6-5-7-15(18)11-14)19-16(20)12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20)
InChIKeyAWQXJKBYNZLIGT-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 111538966) is N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide is CC(Cc1cccc(F)c1)NC(=O)CC1(O)CCCCC1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is AWQXJKBYNZLIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(10-14-6-5-7-15(18)11-14)19-16(20)12-17(21)8-3-2-4-9-17/h5-7,11,13,21H,2-4,8-10,12H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 293.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111538966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).