1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide

C20H22FNO2 — CID 110439215

IUPAC1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C20H22FNO2/c1-2-14-24-18-10-8-17(9-11-18)22-19(23)20(12-3-13-20)15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyJSTYDBOCJJUTEI-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.67
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 110439215) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
PubChem CID110439215
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C20H22FNO2/c1-2-14-24-18-10-8-17(9-11-18)22-19(23)20(12-3-13-20)15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyJSTYDBOCJJUTEI-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propoxyphenyl)-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 23732565
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide (CID 110439215) is 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is JSTYDBOCJJUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-14-24-18-10-8-17(9-11-18)22-19(23)20(12-3-13-20)15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).