2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

C19H17ClN4O3 — CID 4500384

IUPAC2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1Cl)c(O)n2C
InChIInChI=1S/C19H17ClN4O3/c1-11-7-8-15-13(9-11)17(19(27)24(15)2)23-22-16(25)10-21-18(26)12-5-3-4-6-14(12)20/h3-9,27H,10H2,1-2H3,(H,21,26)/b23-22+
InChIKeyAHMKVWVQKIGDSR-GHVJWSGMSA-N
MW384.82 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 4500384) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID4500384
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1Cl)c(O)n2C
InChIInChI=1S/C19H17ClN4O3/c1-11-7-8-15-13(9-11)17(19(27)24(15)2)23-22-16(25)10-21-18(26)12-5-3-4-6-14(12)20/h3-9,27H,10H2,1-2H3,(H,21,26)/b23-22+
InChIKeyAHMKVWVQKIGDSR-GHVJWSGMSA-N
XLogP3.89
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.89
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

2-chloro-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502814
N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
CID 4500205
2-chloro-N-[6-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4504332
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980
2-bromo-N-[3-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4502816
2-bromo-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502815
2-chloro-N-[3-[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4505298
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
CID 1035611
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 4500384) is 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is Cc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1Cl)c(O)n2C.
What is the InChIKey of 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is AHMKVWVQKIGDSR-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-7-8-15-13(9-11)17(19(27)24(15)2)23-22-16(25)10-21-18(26)12-5-3-4-6-14(12)20/h3-9,27H,10H2,1-2H3,(H,21,26)/b23-22+.
What are the key properties of 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 384.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4500384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).