5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

C22H16BrN3O2 — CID 135517136

IUPAC5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(25-19)22(28)26-24-13-14-6-9-17(27)10-7-14/h1-13,25,27H,(H,26,28)/b24-13+
InChIKeyGFNVXYLNGIDIKC-ZMOGYAJESA-N
MW434.29 g/mol
LogP5.07
Rot. Bonds4

About 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 135517136) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID135517136
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(25-19)22(28)26-24-13-14-6-9-17(27)10-7-14/h1-13,25,27H,(H,26,28)/b24-13+
InChIKeyGFNVXYLNGIDIKC-ZMOGYAJESA-N
XLogP5.07
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
CID 3497203
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 126402833
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
3-[5-[(E)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]thiophen-2-yl]benzoic acid
CID 175683989
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-acetyloxy-3-methoxybenzoate
CID 126402094
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 10137885
[4-bromo-2-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126400359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 135517136) is 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1.
What is the InChIKey of 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is GFNVXYLNGIDIKC-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(25-19)22(28)26-24-13-14-6-9-17(27)10-7-14/h1-13,25,27H,(H,26,28)/b24-13+.
What are the key properties of 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135517136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).