1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide

C20H22FNO — CID 112812988

IUPAC1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H22FNO/c1-15(16-8-4-3-5-9-16)22(2)19(23)20(12-7-13-20)17-10-6-11-18(21)14-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyHJTQQDDFDWACRP-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide (PubChem CID 112812988) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
PubChem CID112812988
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H22FNO/c1-15(16-8-4-3-5-9-16)22(2)19(23)20(12-7-13-20)17-10-6-11-18(21)14-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyHJTQQDDFDWACRP-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 55590411
4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
CID 119173402
1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 55329322
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 134022471
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7824908
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide (CID 112812988) is 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide is CC(c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The InChIKey is HJTQQDDFDWACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-15(16-8-4-3-5-9-16)22(2)19(23)20(12-7-13-20)17-10-6-11-18(21)14-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide has a molecular weight of 311.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 112812988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).