1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide

C19H20FNO2 — CID 31935022

IUPAC1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C19H20FNO2/c1-23-17-8-6-14(7-9-17)13-21-18(22)19(10-3-11-19)15-4-2-5-16(20)12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,21,22)
InChIKeyGSZOHYJMPVHUBZ-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 31935022) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID31935022
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C19H20FNO2/c1-23-17-8-6-14(7-9-17)13-21-18(22)19(10-3-11-19)15-4-2-5-16(20)12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,21,22)
InChIKeyGSZOHYJMPVHUBZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
1-(3-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 56524254
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
CID 91650350
1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55962305
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide (CID 31935022) is 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide is COc1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is GSZOHYJMPVHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-23-17-8-6-14(7-9-17)13-21-18(22)19(10-3-11-19)15-4-2-5-16(20)12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,21,22).
What are the key properties of 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 31935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).