N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C16H20FNO — CID 47014952

IUPACN-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc(F)cc2)C1(C)C
InChIInChI=1S/C16H20FNO/c1-10(2)9-13-14(16(13,3)4)15(19)18-12-7-5-11(17)6-8-12/h5-9,13-14H,1-4H3,(H,18,19)
InChIKeyUBFMUXYUGKFIRH-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.00
Rot. Bonds3

About N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 47014952) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID47014952
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc(F)cc2)C1(C)C
InChIInChI=1S/C16H20FNO/c1-10(2)9-13-14(16(13,3)4)15(19)18-12-7-5-11(17)6-8-12/h5-9,13-14H,1-4H3,(H,18,19)
InChIKeyUBFMUXYUGKFIRH-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
N-tert-butyl-4-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 38256775
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
CID 71886670
N-[4-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4920320
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 42924020
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 102557297
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 17139231
trans-(1R,3S)-N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 7319376
N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4916063
trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95145987

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 47014952) is N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccc(F)cc2)C1(C)C.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is UBFMUXYUGKFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(2)9-13-14(16(13,3)4)15(19)18-12-7-5-11(17)6-8-12/h5-9,13-14H,1-4H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 261.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47014952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).