1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H21ClN2O3 — CID 109138655

IUPAC1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H21ClN2O3/c1-13(25)15-4-8-17(9-5-15)24-21(27)19-12-18(19)20(26)23-11-10-14-2-6-16(22)7-3-14/h2-9,18-19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyOQAMFMYKYCGYLN-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.48
Rot. Bonds7

About 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109138655) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109138655
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H21ClN2O3/c1-13(25)15-4-8-17(9-5-15)24-21(27)19-12-18(19)20(26)23-11-10-14-2-6-16(22)7-3-14/h2-9,18-19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyOQAMFMYKYCGYLN-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133673
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136180
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109138655) is 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is OQAMFMYKYCGYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-13(25)15-4-8-17(9-5-15)24-21(27)19-12-18(19)20(26)23-11-10-14-2-6-16(22)7-3-14/h2-9,18-19H,10-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 384.86 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).