1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide

C16H19ClN2O2 — CID 108971860

IUPAC1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-11-4-3-7-13(10-11)19-15(21)16(8-9-16)14(20)18-12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,18,20)(H,19,21)
InChIKeyZYJDSMCSMGYUMP-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.12
Rot. Bonds4

About 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide

1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide (PubChem CID 108971860) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
PubChem CID108971860
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-11-4-3-7-13(10-11)19-15(21)16(8-9-16)14(20)18-12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,18,20)(H,19,21)
InChIKeyZYJDSMCSMGYUMP-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide (CID 108971860) is 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide is O=C(Nc1cccc(Cl)c1)C1(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The InChIKey is ZYJDSMCSMGYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-11-4-3-7-13(10-11)19-15(21)16(8-9-16)14(20)18-12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.12, 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)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).