N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide

C18H18FNO2 — CID 111565737

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18FNO2/c19-15-9-5-4-8-14(15)16(21)12-20-17(22)18(10-11-18)13-6-2-1-3-7-13/h1-9,16,21H,10-12H2,(H,20,22)
InChIKeyHJNWKYVARNLWRQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 111565737) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID111565737
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18FNO2/c19-15-9-5-4-8-14(15)16(21)12-20-17(22)18(10-11-18)13-6-2-1-3-7-13/h1-9,16,21H,10-12H2,(H,20,22)
InChIKeyHJNWKYVARNLWRQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71875039
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126780932
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide (CID 111565737) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCC(O)c1ccccc1F)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HJNWKYVARNLWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-9-5-4-8-14(15)16(21)12-20-17(22)18(10-11-18)13-6-2-1-3-7-13/h1-9,16,21H,10-12H2,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 111565737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).