2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide

C26H23ClN4O3 — CID 24539135

IUPAC2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-10-12-17(13-11-16)24(32)30-31-26(34)23(29-25(33)20-7-2-4-8-21(20)27)14-18-15-28-22-9-5-3-6-19(18)22/h2-13,15,23,28H,14H2,1H3,(H,29,33)(H,30,32)(H,31,34)/t23-/m0/s1
InChIKeyQCAVBKOQEUGTLT-QHCPKHFHSA-N
MW474.95 g/mol
LogP3.93
Rot. Bonds6

About 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 24539135) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID24539135
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-10-12-17(13-11-16)24(32)30-31-26(34)23(29-25(33)20-7-2-4-8-21(20)27)14-18-15-28-22-9-5-3-6-19(18)22/h2-13,15,23,28H,14H2,1H3,(H,29,33)(H,30,32)(H,31,34)/t23-/m0/s1
InChIKeyQCAVBKOQEUGTLT-QHCPKHFHSA-N
XLogP3.93
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
2-chloro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]benzamide
CID 2099194
methyl 4-[[2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoate
CID 24639140
N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650702
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
[2-(4-methylphenyl)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2105219
2-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylsulfanylanilino)-1-oxopropan-2-yl]benzamide
CID 46520929
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 86951550
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]benzamide
CID 42954280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 24539135) is 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide is Cc1ccc(C(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is QCAVBKOQEUGTLT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-16-10-12-17(13-11-16)24(32)30-31-26(34)23(29-25(33)20-7-2-4-8-21(20)27)14-18-15-28-22-9-5-3-6-19(18)22/h2-13,15,23,28H,14H2,1H3,(H,29,33)(H,30,32)(H,31,34)/t23-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 474.95 g/mol, XLogP of 3.93, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24539135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).