1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H21FN2O5 — CID 108983639

IUPAC1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O5/c1-26-15-10-14(11-16(27-2)17(15)28-3)23-19(25)20(7-8-20)18(24)22-13-6-4-5-12(21)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMNTXBMBRJGQIBU-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.21
Rot. Bonds7

About 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983639) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983639
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O5/c1-26-15-10-14(11-16(27-2)17(15)28-3)23-19(25)20(7-8-20)18(24)22-13-6-4-5-12(21)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMNTXBMBRJGQIBU-UHFFFAOYSA-N
XLogP3.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978469
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983639) is 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1cc(NC(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MNTXBMBRJGQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-26-15-10-14(11-16(27-2)17(15)28-3)23-19(25)20(7-8-20)18(24)22-13-6-4-5-12(21)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).