3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

C24H31ClN4O2 — CID 56514738

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C24H31ClN4O2/c1-28(18-19-8-3-2-4-9-19)24(31)26-13-12-23(30)27-17-22(29-14-5-6-15-29)20-10-7-11-21(25)16-20/h2-4,7-11,16,22H,5-6,12-15,17-18H2,1H3,(H,26,31)(H,27,30)
InChIKeyCSIQZKFOGUYTGN-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.82
Rot. Bonds9

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 56514738) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID56514738
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C24H31ClN4O2/c1-28(18-19-8-3-2-4-9-19)24(31)26-13-12-23(30)27-17-22(29-14-5-6-15-29)20-10-7-11-21(25)16-20/h2-4,7-11,16,22H,5-6,12-15,17-18H2,1H3,(H,26,31)(H,27,30)
InChIKeyCSIQZKFOGUYTGN-UHFFFAOYSA-N
XLogP3.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide 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-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 56515754
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
CID 55674436
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
1-benzyl-3-[3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56505549
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110933948
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 56514738) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is CSIQZKFOGUYTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-28(18-19-8-3-2-4-9-19)24(31)26-13-12-23(30)27-17-22(29-14-5-6-15-29)20-10-7-11-21(25)16-20/h2-4,7-11,16,22H,5-6,12-15,17-18H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 442.99 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 56514738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).