1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

C19H20FNO3 — CID 110438018

IUPAC1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C19H20FNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)18(22)21-12-13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyCQLHWYIEHSIHOC-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.19
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 110438018) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID110438018
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C19H20FNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)18(22)21-12-13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyCQLHWYIEHSIHOC-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439005
1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55853318
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
CID 110436752
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 33106611
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 110438018) is 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NCc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CQLHWYIEHSIHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)18(22)21-12-13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110438018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).