1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

C20H20Cl2N2O2 — CID 109139494

IUPAC1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-16-9-4-10-17(18(16)22)24-20(26)15-12-14(15)19(25)23-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,14-15H,5,8,11-12H2,(H,23,25)(H,24,26)
InChIKeyPGYOFNZXNNFOPZ-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.32
Rot. Bonds7

About 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139494) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139494
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-16-9-4-10-17(18(16)22)24-20(26)15-12-14(15)19(25)23-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,14-15H,5,8,11-12H2,(H,23,25)(H,24,26)
InChIKeyPGYOFNZXNNFOPZ-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137792
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (CID 109139494) is 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is O=C(NCCCc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PGYOFNZXNNFOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-9-4-10-17(18(16)22)24-20(26)15-12-14(15)19(25)23-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,14-15H,5,8,11-12H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).