N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C17H20Cl2N2O2 — CID 109131873

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H20Cl2N2O2/c18-12-4-3-11(15(19)9-12)5-6-20-16(22)13-10-14(13)17(23)21-7-1-2-8-21/h3-4,9,13-14H,1-2,5-8,10H2,(H,20,22)
InChIKeySRBKBMIFPSGOSO-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131873) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131873
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H20Cl2N2O2/c18-12-4-3-11(15(19)9-12)5-6-20-16(22)13-10-14(13)17(23)21-7-1-2-8-21/h3-4,9,13-14H,1-2,5-8,10H2,(H,20,22)
InChIKeySRBKBMIFPSGOSO-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133340
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134542
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
8-(cyclobutanecarbonyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42774139
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131873) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)C1CC1C(=O)N1CCCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is SRBKBMIFPSGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-12-4-3-11(15(19)9-12)5-6-20-16(22)13-10-14(13)17(23)21-7-1-2-8-21/h3-4,9,13-14H,1-2,5-8,10H2,(H,20,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).