2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide

C26H18ClN3O2 — CID 137172299

IUPAC2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C26H18ClN3O2/c27-22-14-5-3-12-20(22)25(31)29-28-24-21-13-4-6-15-23(21)30(26(24)32)16-18-10-7-9-17-8-1-2-11-19(17)18/h1-15,32H,16H2/b29-28+
InChIKeyQVMSPNWORDYUDI-ZQHSETAFSA-N
MW439.90 g/mol
LogP7.13
Rot. Bonds4

About 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide

2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide (PubChem CID 137172299) has the molecular formula C26H18ClN3O2 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
PubChem CID137172299
Molecular FormulaC26H18ClN3O2
Molecular Weight439.90 g/mol
Exact Mass439.11
IUPAC Name2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C26H18ClN3O2/c27-22-14-5-3-12-20(22)25(31)29-28-24-21-13-4-6-15-23(21)30(26(24)32)16-18-10-7-9-17-8-1-2-11-19(17)18/h1-15,32H,16H2/b29-28+
InChIKeyQVMSPNWORDYUDI-ZQHSETAFSA-N
XLogP7.13
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 57.13
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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Related Compounds

4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172294
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]imino-3-nitrobenzamide
CID 137172295
2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
CID 135604198
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
2-(4-tert-butylphenyl)-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminocyclopropane-1-carboxamide
CID 135645874
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3769673
2-fluoro-N-(2-hydroxy-1-prop-2-ynylindol-3-yl)iminobenzamide
CID 5035763
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
CID 2461663
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4210172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The IUPAC name of 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide (CID 137172299) is 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The canonical SMILES for 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
The InChIKey is QVMSPNWORDYUDI-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H18ClN3O2/c27-22-14-5-3-12-20(22)25(31)29-28-24-21-13-4-6-15-23(21)30(26(24)32)16-18-10-7-9-17-8-1-2-11-19(17)18/h1-15,32H,16H2/b29-28+.
What are the key properties of 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide?
2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide has a molecular weight of 439.90 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 137172299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).