N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide

C22H16ClN3O2 — CID 4262768

IUPACN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(22(26)28)24-25-21(27)16-6-2-1-3-7-16/h1-13,28H,14H2/b25-24+
InChIKeyACYBXTHSWXTMQQ-OCOZRVBESA-N
MW389.84 g/mol
LogP5.97
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide

N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide (PubChem CID 4262768) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide
PubChem CID4262768
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(22(26)28)24-25-21(27)16-6-2-1-3-7-16/h1-13,28H,14H2/b25-24+
InChIKeyACYBXTHSWXTMQQ-OCOZRVBESA-N
XLogP5.97
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.97
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide (CID 4262768) is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide?
The InChIKey is ACYBXTHSWXTMQQ-OCOZRVBESA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(22(26)28)24-25-21(27)16-6-2-1-3-7-16/h1-13,28H,14H2/b25-24+.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide?
N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide has a molecular weight of 389.84 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzamide is sourced from PubChem (CID 4262768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).