2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide

C20H23ClN2O2 — CID 133132272

IUPAC2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CNC[C@H]1CO)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-5-14(6-8-18)9-15-3-1-2-4-19(15)20(25)23-12-16-10-22-11-17(16)13-24/h1-8,16-17,22,24H,9-13H2,(H,23,25)/t16-,17-/m0/s1
InChIKeyIGDYAXBEVWDCTO-IRXDYDNUSA-N
MW358.87 g/mol
LogP2.49
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide

2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 133132272) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID133132272
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CNC[C@H]1CO)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-5-14(6-8-18)9-15-3-1-2-4-19(15)20(25)23-12-16-10-22-11-17(16)13-24/h1-8,16-17,22,24H,9-13H2,(H,23,25)/t16-,17-/m0/s1
InChIKeyIGDYAXBEVWDCTO-IRXDYDNUSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide 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

2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide (CID 133132272) is 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CNC[C@H]1CO)c1ccccc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is IGDYAXBEVWDCTO-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-7-5-14(6-8-18)9-15-3-1-2-4-19(15)20(25)23-12-16-10-22-11-17(16)13-24/h1-8,16-17,22,24H,9-13H2,(H,23,25)/t16-,17-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide?
2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 133132272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).