N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride

C25H28ClN3O2 — CID 69455883

IUPACN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N1CCc2cc(NC(=O)c3ccccc3)ccc21.Cl
InChIInChI=1S/C25H27N3O2.ClH/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19;/h2-13,16,23-24,26,29H,14-15,17H2,1H3,(H,27,30);1H/t23-,24+;/m1./s1
InChIKeyFNFLSNYMFCSKCT-ITNPDYSASA-N
MW437.97 g/mol
LogP4.04
Rot. Bonds7

About N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride

N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride (PubChem CID 69455883) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride
PubChem CID69455883
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N1CCc2cc(NC(=O)c3ccccc3)ccc21.Cl
InChIInChI=1S/C25H27N3O2.ClH/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19;/h2-13,16,23-24,26,29H,14-15,17H2,1H3,(H,27,30);1H/t23-,24+;/m1./s1
InChIKeyFNFLSNYMFCSKCT-ITNPDYSASA-N
XLogP4.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 58837417
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
(1S,2R)-1-(7-fluoro-2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 69458999
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
CID 110744715
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11493135
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride (CID 69455883) is N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride is CNC[C@@H](O)[C@H](c1ccccc1)N1CCc2cc(NC(=O)c3ccccc3)ccc21.Cl.
What is the InChIKey of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride?
The InChIKey is FNFLSNYMFCSKCT-ITNPDYSASA-N. The full InChI is InChI=1S/C25H27N3O2.ClH/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19;/h2-13,16,23-24,26,29H,14-15,17H2,1H3,(H,27,30);1H/t23-,24+;/m1./s1.
What are the key properties of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride?
N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride has a molecular weight of 437.97 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride is sourced from PubChem (CID 69455883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).