N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

C19H20FNO2 — CID 111450735

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-12-4-2-3-5-15(12)16-10-17(16)19(23)21-11-18(22)13-6-8-14(20)9-7-13/h2-9,16-18,22H,10-11H2,1H3,(H,21,23)
InChIKeyFUYYIZXDFUWZTP-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 111450735) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID111450735
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-12-4-2-3-5-15(12)16-10-17(16)19(23)21-11-18(22)13-6-8-14(20)9-7-13/h2-9,16-18,22H,10-11H2,1H3,(H,21,23)
InChIKeyFUYYIZXDFUWZTP-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
Secodemethylclausenamide
CID 70378439
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-5-phenylpentan-2-yl]propanamide
CID 9910028
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761709
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-4-phenylbutan-2-yl]propanamide
CID 44334174
(2S)-N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]propanamide
CID 44334418
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
US10202340, Example 10
CID 134192686
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 111450735) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1CC1C(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FUYYIZXDFUWZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-12-4-2-3-5-15(12)16-10-17(16)19(23)21-11-18(22)13-6-8-14(20)9-7-13/h2-9,16-18,22H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111450735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).