N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C17H21ClN2O2 — CID 109131872

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-3-4-12(10-13)6-7-19-16(21)14-11-15(14)17(22)20-8-1-2-9-20/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,21)
InChIKeyRZXDOBQRVDECAA-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131872) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131872
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-3-4-12(10-13)6-7-19-16(21)14-11-15(14)17(22)20-8-1-2-9-20/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,21)
InChIKeyRZXDOBQRVDECAA-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131873
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131872) is N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CC1C(=O)N1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is RZXDOBQRVDECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-5-3-4-12(10-13)6-7-19-16(21)14-11-15(14)17(22)20-8-1-2-9-20/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).