1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C20H20F2N2O3 — CID 108977809

IUPAC1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-27-15-5-2-13(3-6-15)8-11-23-18(25)20(9-10-20)19(26)24-14-4-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyHWBULNQZSPEPOM-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.05
Rot. Bonds7

About 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977809) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977809
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-27-15-5-2-13(3-6-15)8-11-23-18(25)20(9-10-20)19(26)24-14-4-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyHWBULNQZSPEPOM-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977692
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977756
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977809) is 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1ccc(CCNC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is HWBULNQZSPEPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-27-15-5-2-13(3-6-15)8-11-23-18(25)20(9-10-20)19(26)24-14-4-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).