2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C16H13BrN4O2 — CID 1494119

IUPAC2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)18-9-14(22)20-21-15-12-3-1-2-4-13(12)19-16(15)23/h1-8,18-19,23H,9H2/b21-20+
InChIKeyXMHQHMBQDBCANM-QZQOTICOSA-N
MW373.21 g/mol
LogP4.36
Rot. Bonds4

About 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 1494119) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID1494119
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)18-9-14(22)20-21-15-12-3-1-2-4-13(12)19-16(15)23/h1-8,18-19,23H,9H2/b21-20+
InChIKeyXMHQHMBQDBCANM-QZQOTICOSA-N
XLogP4.36
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Cdk2 Inhibitor II
CID 3551941
5-bromo-3-[2-(2H-tetrazol-5-yl)hydrazinyl]indol-2-one
CID 568301
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592
N'-[(3E)-5-Bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methoxycarbohydrazide
CID 740762
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026
2-[(4-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3257213
2-[(2-methylphenyl)amino]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3822490
N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-piperidin-1-ylpropanohydrazide
CID 4625538
(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide
CID 273467
Glycine, N-phenyl-N-(phenylsulfonyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103932

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 1494119) is 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CNc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is XMHQHMBQDBCANM-QZQOTICOSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)18-9-14(22)20-21-15-12-3-1-2-4-13(12)19-16(15)23/h1-8,18-19,23H,9H2/b21-20+.
What are the key properties of 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 373.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 1494119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).