4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide

C24H20ClN3O3 — CID 3607032

IUPAC4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C24H20ClN3O3/c1-14-11-15(2)21-20(12-14)22(24(30)26-21)27-28-23(29)17-5-9-19(10-6-17)31-13-16-3-7-18(25)8-4-16/h3-12,26,30H,13H2,1-2H3/b28-27+
InChIKeyIUPYWQKDBOASFV-BYYHNAKLSA-N
MW433.90 g/mol
LogP6.65
Rot. Bonds5

About 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide

4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide (PubChem CID 3607032) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
PubChem CID3607032
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C24H20ClN3O3/c1-14-11-15(2)21-20(12-14)22(24(30)26-21)27-28-23(29)17-5-9-19(10-6-17)31-13-16-3-7-18(25)8-4-16/h3-12,26,30H,13H2,1-2H3/b28-27+
InChIKeyIUPYWQKDBOASFV-BYYHNAKLSA-N
XLogP6.65
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
CID 1040030
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
4-[(4-chlorophenoxy)methyl]-N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]benzamide
CID 135729204
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
4-[(4-chlorophenoxy)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 42992150
4-[(4-chlorophenyl)methoxy]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3473992
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide
CID 137265679
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide (CID 3607032) is 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide is Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)c2c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The InChIKey is IUPYWQKDBOASFV-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-11-15(2)21-20(12-14)22(24(30)26-21)27-28-23(29)17-5-9-19(10-6-17)31-13-16-3-7-18(25)8-4-16/h3-12,26,30H,13H2,1-2H3/b28-27+.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide has a molecular weight of 433.90 g/mol, XLogP of 6.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 3607032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).