1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide

C17H15ClN2O2 — CID 109140819

IUPAC1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2/c18-11-5-4-8-13(9-11)20-17(22)15-10-14(15)16(21)19-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22)
InChIKeyHJAVIHANPIVQEK-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.55
Rot. Bonds4

About 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide

1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109140819) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109140819
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2/c18-11-5-4-8-13(9-11)20-17(22)15-10-14(15)16(21)19-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22)
InChIKeyHJAVIHANPIVQEK-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
2-N-(3-chlorophenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135664
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
1-N-(3-chlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131518
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3-chlorophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141918
methyl 2-[[2-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142893
1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131711
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
2-N-(3-chlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142878
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide (CID 109140819) is 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide is O=C(Nc1ccccc1)C1CC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is HJAVIHANPIVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-11-5-4-8-13(9-11)20-17(22)15-10-14(15)16(21)19-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).