1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

C21H23FN2O3 — CID 108977513

IUPAC1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c1-2-27-18-6-4-3-5-17(18)24-20(26)21(12-13-21)19(25)23-14-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyATMUSRLIBOUNPW-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.30
Rot. Bonds8

About 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977513) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977513
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c1-2-27-18-6-4-3-5-17(18)24-20(26)21(12-13-21)19(25)23-14-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyATMUSRLIBOUNPW-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.30
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'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975995
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977513) is 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is CCOc1ccccc1NC(=O)C1(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is ATMUSRLIBOUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-27-18-6-4-3-5-17(18)24-20(26)21(12-13-21)19(25)23-14-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).