N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

C20H22FNO2 — CID 110438088

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCc2ccc(F)cc2)CCC1
InChIInChI=1S/C20H22FNO2/c1-24-18-6-3-2-5-17(18)20(12-4-13-20)19(23)22-14-11-15-7-9-16(21)10-8-15/h2-3,5-10H,4,11-14H2,1H3,(H,22,23)
InChIKeyAUYBCNKNPGBFLD-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 110438088) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID110438088
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCc2ccc(F)cc2)CCC1
InChIInChI=1S/C20H22FNO2/c1-24-18-6-3-2-5-17(18)20(12-4-13-20)19(23)22-14-11-15-7-9-16(21)10-8-15/h2-3,5-10H,4,11-14H2,1H3,(H,22,23)
InChIKeyAUYBCNKNPGBFLD-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 51130985
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 66868466
3-[2-[[1-(2-methoxyphenyl)cyclohexanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166422320
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (CID 110438088) is N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is COc1ccccc1C1(C(=O)NCCc2ccc(F)cc2)CCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is AUYBCNKNPGBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-24-18-6-3-2-5-17(18)20(12-4-13-20)19(23)22-14-11-15-7-9-16(21)10-8-15/h2-3,5-10H,4,11-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110438088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).