N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide

C17H14BrN3O — CID 6242879

IUPACN-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O/c1-11(12-5-4-6-13(18)9-12)20-21-17(22)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,1H3,(H,21,22)/b20-11-
InChIKeyNGWSNYSOJACIPV-JAIQZWGSSA-N
MW356.22 g/mol
LogP4.08
Rot. Bonds3

About N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide

N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 6242879) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
PubChem CID6242879
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C17H14BrN3O/c1-11(12-5-4-6-13(18)9-12)20-21-17(22)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,1H3,(H,21,22)/b20-11-
InChIKeyNGWSNYSOJACIPV-JAIQZWGSSA-N
XLogP4.08
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.08
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-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[(E)-1-[3-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 40565628
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide (CID 6242879) is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide is C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is NGWSNYSOJACIPV-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-11(12-5-4-6-13(18)9-12)20-21-17(22)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,1H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).