N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide

C17H25ClN2O — CID 106974771

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C17H25ClN2O/c1-4-9-17(10-6-11-19-17)16(21)20(3)13(2)14-7-5-8-15(18)12-14/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3
InChIKeyYEOLJNOWJVVMDF-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974771) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106974771
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)c2cccc(Cl)c2)CCCN1
InChIInChI=1S/C17H25ClN2O/c1-4-9-17(10-6-11-19-17)16(21)20(3)13(2)14-7-5-8-15(18)12-14/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3
InChIKeyYEOLJNOWJVVMDF-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
CID 106974342
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592438
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide (CID 106974771) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(C)C(C)c2cccc(Cl)c2)CCCN1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is YEOLJNOWJVVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-9-17(10-6-11-19-17)16(21)20(3)13(2)14-7-5-8-15(18)12-14/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).