N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide

C17H14N4O2 — CID 136679012

IUPACN'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c22-16(20-13-6-2-1-3-7-13)17(23)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H,20,22)(H,21,23)
InChIKeyXHWXFANOHIMKIW-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.26
Rot. Bonds3

About N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide

N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide (PubChem CID 136679012) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide.

Molecular Properties

Compound NameN'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
PubChem CID136679012
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c22-16(20-13-6-2-1-3-7-13)17(23)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H,20,22)(H,21,23)
InChIKeyXHWXFANOHIMKIW-UHFFFAOYSA-N
XLogP2.26
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136697606
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide?
The IUPAC name of N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide (CID 136679012) is N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide.
What is the SMILES notation for N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide?
The canonical SMILES for N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide is O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide?
The InChIKey is XHWXFANOHIMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16(20-13-6-2-1-3-7-13)17(23)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H,20,22)(H,21,23).
What are the key properties of N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide?
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide has a molecular weight of 306.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide is sourced from PubChem (CID 136679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).