N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H23F2NO2 — CID 51134313

IUPACN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C
InChIInChI=1S/C18H23F2NO2/c1-10(2)9-12-15(18(12,4)5)16(22)21-13-7-6-8-14(11(13)3)23-17(19)20/h6-9,12,15,17H,1-5H3,(H,21,22)
InChIKeyMONOWMWXQYMZEV-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.77
Rot. Bonds5

About N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 51134313) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID51134313
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC NameN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C
InChIInChI=1S/C18H23F2NO2/c1-10(2)9-12-15(18(12,4)5)16(22)21-13-7-6-8-14(11(13)3)23-17(19)20/h6-9,12,15,17H,1-5H3,(H,21,22)
InChIKeyMONOWMWXQYMZEV-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52526871
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
CID 71858397
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 878868
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 42924020
trans-(1S,3R)-N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 929124
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 75427281
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629288

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 51134313) is N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C.
What is the InChIKey of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is MONOWMWXQYMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO2/c1-10(2)9-12-15(18(12,4)5)16(22)21-13-7-6-8-14(11(13)3)23-17(19)20/h6-9,12,15,17H,1-5H3,(H,21,22).
What are the key properties of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51134313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).