1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C20H22FNO2 — CID 55853318

IUPAC1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)cc1F
InChIInChI=1S/C20H22FNO2/c1-13-8-14(2)10-16(9-13)20(6-7-20)19(23)22-12-15-4-5-18(24-3)17(21)11-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyGFZNJRYIRVCZIK-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.80
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 55853318) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID55853318
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)cc1F
InChIInChI=1S/C20H22FNO2/c1-13-8-14(2)10-16(9-13)20(6-7-20)19(23)22-12-15-4-5-18(24-3)17(21)11-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyGFZNJRYIRVCZIK-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 119169544
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 55853318) is 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3cc(C)cc(C)c3)CC2)cc1F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is GFZNJRYIRVCZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-13-8-14(2)10-16(9-13)20(6-7-20)19(23)22-12-15-4-5-18(24-3)17(21)11-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,23).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55853318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).