4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide

C23H18BrN3O3 — CID 135832490

IUPAC4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C23H18BrN3O3/c1-2-30-18-10-8-17(9-11-18)26-22(28)14-3-6-16(7-4-14)25-21-19-13-15(24)5-12-20(19)27-23(21)29/h3-13H,2H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyMOCQQECTOAMPML-UHFFFAOYSA-N
MW464.32 g/mol
LogP5.17
Rot. Bonds5

About 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide

4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 135832490) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID135832490
Molecular FormulaC23H18BrN3O3
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC Name4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C23H18BrN3O3/c1-2-30-18-10-8-17(9-11-18)26-22(28)14-3-6-16(7-4-14)25-21-19-13-15(24)5-12-20(19)27-23(21)29/h3-13H,2H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyMOCQQECTOAMPML-UHFFFAOYSA-N
XLogP5.17
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
propan-2-yl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559304
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 91813173
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide (CID 135832490) is 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is MOCQQECTOAMPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c1-2-30-18-10-8-17(9-11-18)26-22(28)14-3-6-16(7-4-14)25-21-19-13-15(24)5-12-20(19)27-23(21)29/h3-13H,2H2,1H3,(H,26,28)(H,25,27,29).
What are the key properties of 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide?
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 464.32 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 135832490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).