2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide

C24H21ClN2O2 — CID 2115437

IUPAC2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H21ClN2O2/c25-20-12-6-5-11-19(20)24(29)26-21(17-8-2-1-3-9-17)16-23(28)27-15-14-18-10-4-7-13-22(18)27/h1-13,21H,14-16H2,(H,26,29)/t21-/m0/s1
InChIKeyLFMWBZPXQUWUQT-NRFANRHFSA-N
MW404.90 g/mol
LogP4.79
Rot. Bonds5

About 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2115437) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID2115437
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H21ClN2O2/c25-20-12-6-5-11-19(20)24(29)26-21(17-8-2-1-3-9-17)16-23(28)27-15-14-18-10-4-7-13-22(18)27/h1-13,21H,14-16H2,(H,26,29)/t21-/m0/s1
InChIKeyLFMWBZPXQUWUQT-NRFANRHFSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
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2-chloro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 78800152
2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 16623402
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N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 51534256
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55584115
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 100910462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide (CID 2115437) is 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide is O=C(N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is LFMWBZPXQUWUQT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-20-12-6-5-11-19(20)24(29)26-21(17-8-2-1-3-9-17)16-23(28)27-15-14-18-10-4-7-13-22(18)27/h1-13,21H,14-16H2,(H,26,29)/t21-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2115437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).