1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide

C19H16ClN3O2 — CID 108976029

IUPAC1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-2-1-5-14(16)12-22-17(24)19(8-9-19)18(25)23-15-6-3-4-13(10-15)11-21/h1-7,10H,8-9,12H2,(H,22,24)(H,23,25)
InChIKeyNSZFEDHBAWMMLR-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.25
Rot. Bonds5

About 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide

1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976029) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108976029
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-2-1-5-14(16)12-22-17(24)19(8-9-19)18(25)23-15-6-3-4-13(10-15)11-21/h1-7,10H,8-9,12H2,(H,22,24)(H,23,25)
InChIKeyNSZFEDHBAWMMLR-UHFFFAOYSA-N
XLogP3.25
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976489
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975978
1-N'-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975769
1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983820
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide (CID 108976029) is 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide is N#Cc1cccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NSZFEDHBAWMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-7-2-1-5-14(16)12-22-17(24)19(8-9-19)18(25)23-15-6-3-4-13(10-15)11-21/h1-7,10H,8-9,12H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide?
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).