1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide

C18H18FNO2 — CID 32935327

IUPAC1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO2/c19-15-8-6-14(7-9-15)18(10-11-18)17(21)20-12-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,21)
InChIKeyJMTSLZSJHBWXFW-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (PubChem CID 32935327) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
PubChem CID32935327
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO2/c19-15-8-6-14(7-9-15)18(10-11-18)17(21)20-12-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,21)
InChIKeyJMTSLZSJHBWXFW-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (CID 32935327) is 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide is O=C(NCCOc1ccccc1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is JMTSLZSJHBWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-8-6-14(7-9-15)18(10-11-18)17(21)20-12-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32935327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).