N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H24FNO — CID 24625156

IUPACN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCc2ccccc2F)C1(C)C
InChIInChI=1S/C18H24FNO/c1-12(2)11-14-16(18(14,3)4)17(21)20-10-9-13-7-5-6-8-15(13)19/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,21)
InChIKeyXNQYXLTVQCYMSX-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 24625156) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID24625156
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCc2ccccc2F)C1(C)C
InChIInChI=1S/C18H24FNO/c1-12(2)11-14-16(18(14,3)4)17(21)20-10-9-13-7-5-6-8-15(13)19/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,21)
InChIKeyXNQYXLTVQCYMSX-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 134023213
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24559554
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51281385
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 24625156) is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCCc2ccccc2F)C1(C)C.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is XNQYXLTVQCYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-12(2)11-14-16(18(14,3)4)17(21)20-10-9-13-7-5-6-8-15(13)19/h5-8,11,14,16H,9-10H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 289.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24625156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).