1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide

C14H18FNO2 — CID 110428117

IUPAC1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-13(2,18)9-16-12(17)14(7-8-14)10-5-3-4-6-11(10)15/h3-6,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyITGZKOUZXMKGOV-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 110428117) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID110428117
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-13(2,18)9-16-12(17)14(7-8-14)10-5-3-4-6-11(10)15/h3-6,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyITGZKOUZXMKGOV-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 111434836
1-(2-fluorophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)cyclopropane-1-carboxamide
CID 109380998
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide (CID 110428117) is 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide is CC(C)(O)CNC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is ITGZKOUZXMKGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2,18)9-16-12(17)14(7-8-14)10-5-3-4-6-11(10)15/h3-6,18H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110428117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).