2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide

C16H15N3O2 — CID 3574124

IUPAC2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)Cc2cc3ccccc3[nH]2)o1
InChIInChI=1S/C16H15N3O2/c1-11-6-7-14(21-11)10-17-19-16(20)9-13-8-12-4-2-3-5-15(12)18-13/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyFHFYUHMHQZTAOF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.76
Rot. Bonds4

About 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide

2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 3574124) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID3574124
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)Cc2cc3ccccc3[nH]2)o1
InChIInChI=1S/C16H15N3O2/c1-11-6-7-14(21-11)10-17-19-16(20)9-13-8-12-4-2-3-5-15(12)18-13/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyFHFYUHMHQZTAOF-UHFFFAOYSA-N
XLogP2.76
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.76
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-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 134876078
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 5413730
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 5413481

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide (CID 3574124) is 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(C=NNC(=O)Cc2cc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is FHFYUHMHQZTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-7-14(21-11)10-17-19-16(20)9-13-8-12-4-2-3-5-15(12)18-13/h2-8,10,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 281.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 3574124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).