N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide

C16H23ClN2O2 — CID 50954900

IUPACN-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCOCCN1CCC(C(=O)N(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O2/c1-18(11-13-4-3-5-15(17)10-13)16(20)14-6-7-19(12-14)8-9-21-2/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyOQVXLJYYAAHDKF-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 50954900) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID50954900
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCOCCN1CCC(C(=O)N(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O2/c1-18(11-13-4-3-5-15(17)10-13)16(20)14-6-7-19(12-14)8-9-21-2/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyOQVXLJYYAAHDKF-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide (CID 50954900) is N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide is COCCN1CCC(C(=O)N(C)Cc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is OQVXLJYYAAHDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18(11-13-4-3-5-15(17)10-13)16(20)14-6-7-19(12-14)8-9-21-2/h3-5,10,14H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 50954900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).