1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H23FN2O4 — CID 109137764

IUPAC1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H23FN2O4/c1-27-15-7-8-19(28-2)18(11-15)24-21(26)17-12-16(17)20(25)23-10-9-13-3-5-14(22)6-4-13/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAQIYUIIFZMKZAP-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.78
Rot. Bonds8

About 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137764) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137764
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H23FN2O4/c1-27-15-7-8-19(28-2)18(11-15)24-21(26)17-12-16(17)20(25)23-10-9-13-3-5-14(22)6-4-13/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAQIYUIIFZMKZAP-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132856
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137764) is 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is COc1ccc(OC)c(NC(=O)C2CC2C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is AQIYUIIFZMKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-15-7-8-19(28-2)18(11-15)24-21(26)17-12-16(17)20(25)23-10-9-13-3-5-14(22)6-4-13/h3-8,11,16-17H,9-10,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).