(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H24ClN3O — CID 44418512

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESC1CCN(C1)C[C@@H]2CCCN2C(=O)NCC3=CC=C(C=C3)Cl
InChIInChI=1S/C17H24ClN3O/c18-15-7-5-14(6-8-15)12-19-17(22)21-11-3-4-16(21)13-20-9-1-2-10-20/h5-8,16H,1-4,9-13H2,(H,19,22)/t16-/m0/s1
InChIKeyZINQVDMUOKSGFB-INIZCTEOSA-N
MW321.80 g/mol
LogP2.80
Rot. Bonds4

About (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 44418512) has the molecular formula C17H24ClN3O and a molecular weight of 321.80 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID44418512
Molecular FormulaC17H24ClN3O
Molecular Weight321.80 g/mol
Exact Mass321.16
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESC1CCN(C1)C[C@@H]2CCCN2C(=O)NCC3=CC=C(C=C3)Cl
InChIInChI=1S/C17H24ClN3O/c18-15-7-5-14(6-8-15)12-19-17(22)21-11-3-4-16(21)13-20-9-1-2-10-20/h5-8,16H,1-4,9-13H2,(H,19,22)/t16-/m0/s1
InChIKeyZINQVDMUOKSGFB-INIZCTEOSA-N
XLogP2.80
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity365

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide 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

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
1-[(4-Chlorophenyl)methyl]-1-cyclopentylurea
CID 67797498
N-(4-chlorobenzyl)urea
CID 1484508
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 3240085
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
(S)-N-benzyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418526
(S)-N-(3-(aminomethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418535
(S)-N-(4-(aminomethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418536
(S)-N-(3,4-dichlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418542
N-(3,4-dichlorobenzyl)-4-cyclopentylpiperazine-1-carboxamide
CID 44418575

Frequently Asked Questions

What is the IUPAC name of (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 44418512) is (2S)-N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is C1CCN(C1)C[C@@H]2CCCN2C(=O)NCC3=CC=C(C=C3)Cl.
What is the InChIKey of (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZINQVDMUOKSGFB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-7-5-14(6-8-15)12-19-17(22)21-11-3-4-16(21)13-20-9-1-2-10-20/h5-8,16H,1-4,9-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 321.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 44418512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).