1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H21FN2O3 — CID 109137659

IUPAC1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H21FN2O3/c1-13(25)15-6-4-7-16(11-15)24-21(27)18-12-17(18)20(26)23-10-9-14-5-2-3-8-19(14)22/h2-8,11,17-18H,9-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyMAXSJPWOANPUBI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.96
Rot. Bonds7

About 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137659) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137659
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H21FN2O3/c1-13(25)15-6-4-7-16(11-15)24-21(27)18-12-17(18)20(26)23-10-9-14-5-2-3-8-19(14)22/h2-8,11,17-18H,9-10,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyMAXSJPWOANPUBI-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109137657
1-N'-(3-acetylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977413
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139542
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137659) is 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CC2C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is MAXSJPWOANPUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13(25)15-6-4-7-16(11-15)24-21(27)18-12-17(18)20(26)23-10-9-14-5-2-3-8-19(14)22/h2-8,11,17-18H,9-10,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).