N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C17H21ClN2O2 — CID 109131910

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c1-10-7-11(2)15(14(18)8-10)19-16(21)12-9-13(12)17(22)20-5-3-4-6-20/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyFEUQZDUFFOYHFQ-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.15
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131910) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131910
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O2/c1-10-7-11(2)15(14(18)8-10)19-16(21)12-9-13(12)17(22)20-5-3-4-6-20/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyFEUQZDUFFOYHFQ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132291
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
N-(4-chloro-2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132288
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144573
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131910) is N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CC2C(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is FEUQZDUFFOYHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-10-7-11(2)15(14(18)8-10)19-16(21)12-9-13(12)17(22)20-5-3-4-6-20/h7-8,12-13H,3-6,9H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).