2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide

C13H16FNO2 — CID 78854955

IUPAC2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCO)C1CC1c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-5-2-1-4-9(12)10-8-11(10)13(17)15-6-3-7-16/h1-2,4-5,10-11,16H,3,6-8H2,(H,15,17)
InChIKeyVERSXPCHFWZESM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.43
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide (PubChem CID 78854955) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
PubChem CID78854955
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCO)C1CC1c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-5-2-1-4-9(12)10-8-11(10)13(17)15-6-3-7-16/h1-2,4-5,10-11,16H,3,6-8H2,(H,15,17)
InChIKeyVERSXPCHFWZESM-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 86917440
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110885515
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134054969
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide (CID 78854955) is 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide is O=C(NCCCO)C1CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide?
The InChIKey is VERSXPCHFWZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-5-2-1-4-9(12)10-8-11(10)13(17)15-6-3-7-16/h1-2,4-5,10-11,16H,3,6-8H2,(H,15,17).
What are the key properties of 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78854955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).