3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

C18H15ClN4O3 — CID 1153980

IUPAC3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H15ClN4O3/c1-23-14-8-3-2-7-13(14)16(18(23)26)22-21-15(24)10-20-17(25)11-5-4-6-12(19)9-11/h2-9,26H,10H2,1H3,(H,20,25)/b22-21+
InChIKeyQAQPGIVUTLOXPA-QURGRASLSA-N
MW370.80 g/mol
LogP3.58
Rot. Bonds4

About 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 1153980) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID1153980
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H15ClN4O3/c1-23-14-8-3-2-7-13(14)16(18(23)26)22-21-15(24)10-20-17(25)11-5-4-6-12(19)9-11/h2-9,26H,10H2,1H3,(H,20,25)/b22-21+
InChIKeyQAQPGIVUTLOXPA-QURGRASLSA-N
XLogP3.58
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.58
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-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322
2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4500384
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068669
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-4-methoxybenzamide
CID 2018731
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 1153980) is 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is QAQPGIVUTLOXPA-QURGRASLSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-23-14-8-3-2-7-13(14)16(18(23)26)22-21-15(24)10-20-17(25)11-5-4-6-12(19)9-11/h2-9,26H,10H2,1H3,(H,20,25)/b22-21+.
What are the key properties of 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 370.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 1153980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).