N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide

C25H21N3O3 — CID 154113699

IUPACN-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide
SMILESO=C(NCCc1ccccc1)/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C25H21N3O3/c29-23(18-11-5-2-6-12-18)28-22(21-19-13-7-8-14-20(19)27-24(21)30)25(31)26-16-15-17-9-3-1-4-10-17/h1-14,27,30H,15-16H2,(H,26,31)/b28-22-
InChIKeyQBVDECPOSANYHD-SLMZUGIISA-N
MW411.46 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide

N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide (PubChem CID 154113699) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide
PubChem CID154113699
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide
SMILESO=C(NCCc1ccccc1)/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C25H21N3O3/c29-23(18-11-5-2-6-12-18)28-22(21-19-13-7-8-14-20(19)27-24(21)30)25(31)26-16-15-17-9-3-1-4-10-17/h1-14,27,30H,15-16H2,(H,26,31)/b28-22-
InChIKeyQBVDECPOSANYHD-SLMZUGIISA-N
XLogP3.86
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 113211551
2-(2-hydroxy-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 44713902
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
ethyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837732
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide?
The IUPAC name of N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide (CID 154113699) is N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide.
What is the SMILES notation for N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide?
The canonical SMILES for N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide is O=C(NCCc1ccccc1)/C(=N\C(=O)c1ccccc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide?
The InChIKey is QBVDECPOSANYHD-SLMZUGIISA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(18-11-5-2-6-12-18)28-22(21-19-13-7-8-14-20(19)27-24(21)30)25(31)26-16-15-17-9-3-1-4-10-17/h1-14,27,30H,15-16H2,(H,26,31)/b28-22-.
What are the key properties of N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide?
N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-1H-indol-3-yl)-2-oxo-2-(2-phenylethylamino)ethylidene]benzamide is sourced from PubChem (CID 154113699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).