1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide

C18H26FNO3 — CID 111791814

IUPAC1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H26FNO3/c1-13(2)11-23-12-16(21)10-20-17(22)18(7-4-8-18)14-5-3-6-15(19)9-14/h3,5-6,9,13,16,21H,4,7-8,10-12H2,1-2H3,(H,20,22)
InChIKeyXJVLMFGFGVZYQM-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.40
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide (PubChem CID 111791814) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
PubChem CID111791814
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H26FNO3/c1-13(2)11-23-12-16(21)10-20-17(22)18(7-4-8-18)14-5-3-6-15(19)9-14/h3,5-6,9,13,16,21H,4,7-8,10-12H2,1-2H3,(H,20,22)
InChIKeyXJVLMFGFGVZYQM-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 111791701
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 96529236
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide (CID 111791814) is 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide is CC(C)COCC(O)CNC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide?
The InChIKey is XJVLMFGFGVZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-13(2)11-23-12-16(21)10-20-17(22)18(7-4-8-18)14-5-3-6-15(19)9-14/h3,5-6,9,13,16,21H,4,7-8,10-12H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 111791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).