2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide

C25H24ClN3O2 — CID 141172289

IUPAC2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C25H24ClN3O2/c1-27-16-23(30)24(17-7-3-2-4-8-17)29-14-13-18-15-19(11-12-22(18)29)28-25(31)20-9-5-6-10-21(20)26/h2-15,23-24,27,30H,16H2,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyFFQDZMGJSQPLBG-RPWUZVMVSA-N
MW433.94 g/mol
LogP4.72
Rot. Bonds7

About 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide

2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide (PubChem CID 141172289) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
PubChem CID141172289
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C25H24ClN3O2/c1-27-16-23(30)24(17-7-3-2-4-8-17)29-14-13-18-15-19(11-12-22(18)29)28-25(31)20-9-5-6-10-21(20)26/h2-15,23-24,27,30H,16H2,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyFFQDZMGJSQPLBG-RPWUZVMVSA-N
XLogP4.72
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide (CID 141172289) is 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide is CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The InChIKey is FFQDZMGJSQPLBG-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-27-16-23(30)24(17-7-3-2-4-8-17)29-14-13-18-15-19(11-12-22(18)29)28-25(31)20-9-5-6-10-21(20)26/h2-15,23-24,27,30H,16H2,1H3,(H,28,31)/t23-,24+/m1/s1.
What are the key properties of 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide is sourced from PubChem (CID 141172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).