N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

C19H20FNO3 — CID 111107160

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(C2CC2C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(9-15)16-10-17(16)19(23)21-11-18(22)12-5-7-14(20)8-6-12/h2-9,16-18,22H,10-11H2,1H3,(H,21,23)
InChIKeyOFYBWXSQQICHSO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 111107160) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID111107160
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(C2CC2C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(9-15)16-10-17(16)19(23)21-11-18(22)12-5-7-14(20)8-6-12/h2-9,16-18,22H,10-11H2,1H3,(H,21,23)
InChIKeyOFYBWXSQQICHSO-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107167
2-(2-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 111115585
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 111450735
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111464372

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 111107160) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc(C2CC2C(=O)NCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is OFYBWXSQQICHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-24-15-4-2-3-13(9-15)16-10-17(16)19(23)21-11-18(22)12-5-7-14(20)8-6-12/h2-9,16-18,22H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111107160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).