1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide

C21H24FNO2 — CID 46558430

IUPAC1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24FNO2/c1-16(17-6-3-2-4-7-17)25-15-5-14-23-20(24)21(12-13-21)18-8-10-19(22)11-9-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,24)
InChIKeyWESFHLKKNQCRGB-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.14
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 46558430) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID46558430
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24FNO2/c1-16(17-6-3-2-4-7-17)25-15-5-14-23-20(24)21(12-13-21)18-8-10-19(22)11-9-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,24)
InChIKeyWESFHLKKNQCRGB-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.14
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-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
(5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-7-methylazepan-2-one
CID 11983278
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)azepan-2-one
CID 44412207
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one
CID 44412445
(4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-7-methylazepan-2-one
CID 44412493
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide (CID 46558430) is 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide is CC(OCCCNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is WESFHLKKNQCRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16(17-6-3-2-4-7-17)25-15-5-14-23-20(24)21(12-13-21)18-8-10-19(22)11-9-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46558430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).