N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C19H26FNO2 — CID 24560070

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2C(C=C(C)C)C2(C)C)cc1F
InChIInChI=1S/C19H26FNO2/c1-11(2)9-14-17(19(14,4)5)18(22)21-12(3)13-7-8-16(23-6)15(20)10-13/h7-10,12,14,17H,1-6H3,(H,21,22)
InChIKeySTZWYCXUZHMMGG-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 24560070) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID24560070
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2C(C=C(C)C)C2(C)C)cc1F
InChIInChI=1S/C19H26FNO2/c1-11(2)9-14-17(19(14,4)5)18(22)21-12(3)13-7-8-16(23-6)15(20)10-13/h7-10,12,14,17H,1-6H3,(H,21,22)
InChIKeySTZWYCXUZHMMGG-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.25
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-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 31317098
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide
CID 47117260
7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 24560070) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COc1ccc(C(C)NC(=O)C2C(C=C(C)C)C2(C)C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is STZWYCXUZHMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-11(2)9-14-17(19(14,4)5)18(22)21-12(3)13-7-8-16(23-6)15(20)10-13/h7-10,12,14,17H,1-6H3,(H,21,22).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24560070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).