2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

C15H20FNO3 — CID 71864033

IUPAC2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3
InChIKeyLYPCPYMXBRGWRM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.39
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 71864033) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
PubChem CID71864033
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3
InChIKeyLYPCPYMXBRGWRM-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137643625
1-[(3S)-3-Hydroxypyrrolidin-1-YL]-3-(2-methylphenyl)butan-1-one
CID 71922612
(3S*,4R*)-1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-3,4-diol
CID 72859743
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137631574
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 137633587
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 137633934
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 137637454
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 137638098
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 137644646
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 137654274
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 137657093
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 145972506

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (CID 71864033) is 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is COCC(O)CN(C)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LYPCPYMXBRGWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71864033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).