N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide

C13H16FNO2 — CID 82116875

IUPACN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
SMILESCc1cc(C(O)CNC(=O)C2CC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)12(16)7-15-13(17)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyRGMFONVHXMTBQF-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide

N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide (PubChem CID 82116875) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
PubChem CID82116875
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
SMILESCc1cc(C(O)CNC(=O)C2CC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)12(16)7-15-13(17)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyRGMFONVHXMTBQF-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
(3R)-N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 97029900
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]-3-hydroxybutanoic acid
CID 82315016
N-cyclopropyl-5-(4-fluoro-3-methylphenyl)-5-hydroxypentanamide
CID 112510939
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide (CID 82116875) is N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide is Cc1cc(C(O)CNC(=O)C2CC2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The InChIKey is RGMFONVHXMTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)12(16)7-15-13(17)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide has a molecular weight of 237.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide is sourced from PubChem (CID 82116875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).