2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

C17H16N4O2 — CID 135951883

IUPAC2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N4O2/c1-21-14-10-6-5-9-13(14)16(17(21)23)20-19-15(22)11-18-12-7-3-2-4-8-12/h2-10,18,23H,11H2,1H3/b20-19+
InChIKeyMPYGUBDCMLTHDY-FMQUCBEESA-N
MW308.34 g/mol
LogP3.61
Rot. Bonds4

About 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (PubChem CID 135951883) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
PubChem CID135951883
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N4O2/c1-21-14-10-6-5-9-13(14)16(17(21)23)20-19-15(22)11-18-12-7-3-2-4-8-12/h2-10,18,23H,11H2,1H3/b20-19+
InChIKeyMPYGUBDCMLTHDY-FMQUCBEESA-N
XLogP3.61
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
CID 1255359
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443504
1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 137143472

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (CID 135951883) is 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is Cn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21.
What is the InChIKey of 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The InChIKey is MPYGUBDCMLTHDY-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-14-10-6-5-9-13(14)16(17(21)23)20-19-15(22)11-18-12-7-3-2-4-8-12/h2-10,18,23H,11H2,1H3/b20-19+.
What are the key properties of 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 135951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).