N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide

C20H23ClN2O2 — CID 17011529

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-25-16-10-8-15(9-11-16)20(24)22-14-19(23-12-4-5-13-23)17-6-2-3-7-18(17)21/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyCINMGHWPKQRDBR-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide (PubChem CID 17011529) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
PubChem CID17011529
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-25-16-10-8-15(9-11-16)20(24)22-14-19(23-12-4-5-13-23)17-6-2-3-7-18(17)21/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,24)
InChIKeyCINMGHWPKQRDBR-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[(2R)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487459
N-[(2S)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487454
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide (CID 17011529) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(c2ccccc2Cl)N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?
The InChIKey is CINMGHWPKQRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-16-10-8-15(9-11-16)20(24)22-14-19(23-12-4-5-13-23)17-6-2-3-7-18(17)21/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide has a molecular weight of 358.87 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 17011529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).