N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide

C16H22FNO2 — CID 111483353

IUPACN-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-3-15(20,4-2)11-18-14(19)16(8-9-16)12-6-5-7-13(17)10-12/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeyLFCUOHVDKYQMMX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.52
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 111483353) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID111483353
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-3-15(20,4-2)11-18-14(19)16(8-9-16)12-6-5-7-13(17)10-12/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeyLFCUOHVDKYQMMX-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 112792896
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 111483353) is N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide is CCC(O)(CC)CNC(=O)C1(c2cccc(F)c2)CC1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LFCUOHVDKYQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-15(20,4-2)11-18-14(19)16(8-9-16)12-6-5-7-13(17)10-12/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111483353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).