N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide

C21H22ClN3O2 — CID 135881474

IUPACN-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(Cl)c21
InChIInChI=1S/C21H22ClN3O2/c1-2-3-4-8-14-25-19-16(12-9-13-17(19)22)18(21(25)27)23-24-20(26)15-10-6-5-7-11-15/h5-7,9-13,27H,2-4,8,14H2,1H3/b24-23+
InChIKeyNSHJXIGTHPHGJD-WCWDXBQESA-N
MW383.88 g/mol
LogP6.50
Rot. Bonds7

About N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide

N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 135881474) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID135881474
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(Cl)c21
InChIInChI=1S/C21H22ClN3O2/c1-2-3-4-8-14-25-19-16(12-9-13-17(19)22)18(21(25)27)23-24-20(26)15-10-6-5-7-11-15/h5-7,9-13,27H,2-4,8,14H2,1H3/b24-23+
InChIKeyNSHJXIGTHPHGJD-WCWDXBQESA-N
XLogP6.50
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (CID 135881474) is N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is CCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(Cl)c21.
What is the InChIKey of N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is NSHJXIGTHPHGJD-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-2-3-4-8-14-25-19-16(12-9-13-17(19)22)18(21(25)27)23-24-20(26)15-10-6-5-7-11-15/h5-7,9-13,27H,2-4,8,14H2,1H3/b24-23+.
What are the key properties of N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 383.88 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 135881474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).