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

C23H15BrN4O — CID 10203805

IUPAC5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESN#Cc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN4O/c24-18-10-11-20-19(12-18)21(17-4-2-1-3-5-17)22(27-20)23(29)28-26-14-16-8-6-15(13-25)7-9-16/h1-12,14,27H,(H,28,29)/b26-14+
InChIKeyGRIGXJCVYPSHEO-VULFUBBASA-N
MW443.30 g/mol
LogP5.23
Rot. Bonds4

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

5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 10203805) has the molecular formula C23H15BrN4O and a molecular weight of 443.30 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID10203805
Molecular FormulaC23H15BrN4O
Molecular Weight443.30 g/mol
Exact Mass442.04
IUPAC Name5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESN#Cc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN4O/c24-18-10-11-20-19(12-18)21(17-4-2-1-3-5-17)22(27-20)23(29)28-26-14-16-8-6-15(13-25)7-9-16/h1-12,14,27H,(H,28,29)/b26-14+
InChIKeyGRIGXJCVYPSHEO-VULFUBBASA-N
XLogP5.23
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
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-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
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-[(E)-(4-bromophenyl)methylideneamino]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 10137885
N-[(E)-(4-butoxyphenyl)methylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 6878086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 10203805) is 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is N#Cc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is GRIGXJCVYPSHEO-VULFUBBASA-N. The full InChI is InChI=1S/C23H15BrN4O/c24-18-10-11-20-19(12-18)21(17-4-2-1-3-5-17)22(27-20)23(29)28-26-14-16-8-6-15(13-25)7-9-16/h1-12,14,27H,(H,28,29)/b26-14+.
What are the key properties of 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10203805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).