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

C22H16BrN3O — CID 10273493

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H16BrN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27)/b24-14+
InChIKeyKXOIBFHIEJGERM-ZVHZXABRSA-N
MW418.29 g/mol
LogP5.36
Rot. Bonds4

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

N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 10273493) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID10273493
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H16BrN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27)/b24-14+
InChIKeyKXOIBFHIEJGERM-ZVHZXABRSA-N
XLogP5.36
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.36
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-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
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]-7-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 10137885
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
[2,4-dibromo-6-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126399498
5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
CID 3497203
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 10273493) is N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is KXOIBFHIEJGERM-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H16BrN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27)/b24-14+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10273493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).