N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide

C16H11BrN4O4 — CID 135957348

IUPACN-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H11BrN4O4/c17-10-3-6-12-13(8-10)18-16(23)15(12)20-19-14(22)7-9-1-4-11(5-2-9)21(24)25/h1-6,8,18,23H,7H2/b20-19+
InChIKeyCPWMRPJEULWVMS-FMQUCBEESA-N
MW403.19 g/mol
LogP4.40
Rot. Bonds4

About N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide

N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide (PubChem CID 135957348) has the molecular formula C16H11BrN4O4 and a molecular weight of 403.19 g/mol. Its IUPAC name is N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide
PubChem CID135957348
Molecular FormulaC16H11BrN4O4
Molecular Weight403.19 g/mol
Exact Mass402.00
IUPAC NameN-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H11BrN4O4/c17-10-3-6-12-13(8-10)18-16(23)15(12)20-19-14(22)7-9-1-4-11(5-2-9)21(24)25/h1-6,8,18,23H,7H2/b20-19+
InChIKeyCPWMRPJEULWVMS-FMQUCBEESA-N
XLogP4.40
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide
CID 3789101
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
CID 3718757
N-[(4-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026016
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026058
(3-Bromo-4-hydroxy-phenyl)-acetic acid [(3Z)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazide
CID 136086947
2-(3-bromo-4-hydroxyphenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 136086955
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136086960
3-(2-(4-Nitrophenyl)hydrazinyl)indol-2-one
CID 3776068
N'-(4-bromo-5-methyl-2-oxo-3-indolyl)-3-phenylpropanehydrazide
CID 1048590
N'-(6-bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-phenylpropanohydrazide
CID 1048599
(E)-2-bromo-N-(6-oxo-6-(2-(2-oxoindolin-3-ylidene)hydrazinyl)hexyl)benzamide
CID 2131618
(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)heptanehydrazide
CID 3625305

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide (CID 135957348) is N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)[nH]c2cc(Br)ccc12.
What is the InChIKey of N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide?
The InChIKey is CPWMRPJEULWVMS-FMQUCBEESA-N. The full InChI is InChI=1S/C16H11BrN4O4/c17-10-3-6-12-13(8-10)18-16(23)15(12)20-19-14(22)7-9-1-4-11(5-2-9)21(24)25/h1-6,8,18,23H,7H2/b20-19+.
What are the key properties of N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide?
N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide has a molecular weight of 403.19 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 135957348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).