5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide

C24H18BrN3O — CID 3497203

IUPAC5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=CC=Cc1ccccc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C24H18BrN3O/c25-19-13-14-21-20(16-19)22(18-11-5-2-6-12-18)23(27-21)24(29)28-26-15-7-10-17-8-3-1-4-9-17/h1-16,27H,(H,28,29)
InChIKeyPEEHLELGROHBNP-UHFFFAOYSA-N
MW444.33 g/mol
LogP6.03
Rot. Bonds5

About 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide

5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide (PubChem CID 3497203) has the molecular formula C24H18BrN3O and a molecular weight of 444.33 g/mol. Its IUPAC name is 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
PubChem CID3497203
Molecular FormulaC24H18BrN3O
Molecular Weight444.33 g/mol
Exact Mass443.06
IUPAC Name5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=CC=Cc1ccccc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C24H18BrN3O/c25-19-13-14-21-20(16-19)22(18-11-5-2-6-12-18)23(27-21)24(29)28-26-15-7-10-17-8-3-1-4-9-17/h1-16,27H,(H,28,29)
InChIKeyPEEHLELGROHBNP-UHFFFAOYSA-N
XLogP6.03
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
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
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-bromobenzoate
CID 126402833
[4-bromo-2-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126400359
[4-bromo-2-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126399905
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-acetyloxy-3-methoxybenzoate
CID 126402094
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
[4-bromo-2-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126400185
N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 10295546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide (CID 3497203) is 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide is O=C(NN=CC=Cc1ccccc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1.
What is the InChIKey of 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is PEEHLELGROHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O/c25-19-13-14-21-20(16-19)22(18-11-5-2-6-12-18)23(27-21)24(29)28-26-15-7-10-17-8-3-1-4-9-17/h1-16,27H,(H,28,29).
What are the key properties of 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide?
5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 3497203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).