N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide

C20H22FNO2 — CID 110446434

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO2/c1-19(2,14-6-10-17(24-3)11-7-14)18(23)22-20(12-13-20)15-4-8-16(21)9-5-15/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyWDBJCDKJSDYTNZ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide

N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 110446434) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID110446434
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO2/c1-19(2,14-6-10-17(24-3)11-7-14)18(23)22-20(12-13-20)15-4-8-16(21)9-5-15/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyWDBJCDKJSDYTNZ-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 164853883
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide (CID 110446434) is N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)NC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is WDBJCDKJSDYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-19(2,14-6-10-17(24-3)11-7-14)18(23)22-20(12-13-20)15-4-8-16(21)9-5-15/h4-11H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 327.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110446434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).