2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide

C17H15N3O2 — CID 126389678

IUPAC2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccccc2O)c2ccccc21
InChIInChI=1S/C17H15N3O2/c18-17(22)11-20-10-12(13-5-1-3-7-15(13)20)9-19-14-6-2-4-8-16(14)21/h1-10,21H,11H2,(H2,18,22)/b19-9+
InChIKeyJFYILXSQJRLSIK-DJKKODMXSA-N
MW293.33 g/mol
LogP2.58
Rot. Bonds4

About 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide

2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide (PubChem CID 126389678) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
PubChem CID126389678
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccccc2O)c2ccccc21
InChIInChI=1S/C17H15N3O2/c18-17(22)11-20-10-12(13-5-1-3-7-15(13)20)9-19-14-6-2-4-8-16(14)21/h1-10,21H,11H2,(H2,18,22)/b19-9+
InChIKeyJFYILXSQJRLSIK-DJKKODMXSA-N
XLogP2.58
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389439
2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389420
3-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzoic acid
CID 126391706
2-[3-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126389976
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126388972
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
CID 6053928
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6372429

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide (CID 126389678) is 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide is NC(=O)Cn1cc(/C=N/c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide?
The InChIKey is JFYILXSQJRLSIK-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-17(22)11-20-10-12(13-5-1-3-7-15(13)20)9-19-14-6-2-4-8-16(14)21/h1-10,21H,11H2,(H2,18,22)/b19-9+.
What are the key properties of 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide?
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide is sourced from PubChem (CID 126389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).