2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide

C11H11ClN2O2 — CID 175097065

IUPAC2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c12-7-3-1-2-6(4-7)8-5-11(8,9(13)15)10(14)16/h1-4,8H,5H2,(H2,13,15)(H2,14,16)
InChIKeyUMMKCSSCQWSYIH-UHFFFAOYSA-N
MW238.67 g/mol
LogP0.78
Rot. Bonds3

About 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide

2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 175097065) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID175097065
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c12-7-3-1-2-6(4-7)8-5-11(8,9(13)15)10(14)16/h1-4,8H,5H2,(H2,13,15)(H2,14,16)
InChIKeyUMMKCSSCQWSYIH-UHFFFAOYSA-N
XLogP0.78
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 50.78
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

2-(4-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093950
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine
CID 84677435
[2-(3-chlorophenyl)-1-methylcyclopropyl]methanol
CID 139784418
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(3-chlorophenyl)-N-(diaminomethylidene)cyclopropane-1-carboxamide
CID 54429872
trans-ethyl (1R,2S)-2-(3-chlorophenyl)-1-nitrocyclopropane-1-carboxylate
CID 134860664
4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 22250345
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
CID 131579141
4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270243
3-(3-chlorophenyl)-N-(diaminomethylidene)-2,2-dimethylcyclopropane-1-carboxamide
CID 54403204

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide (CID 175097065) is 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(N)=O)CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UMMKCSSCQWSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-7-3-1-2-6(4-7)8-5-11(8,9(13)15)10(14)16/h1-4,8H,5H2,(H2,13,15)(H2,14,16).
What are the key properties of 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide?
2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 238.67 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 175097065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).