N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide

C20H19BrClN3O2 — CID 135726463

IUPACN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C20H19BrClN3O2/c1-2-3-6-11-25-17-10-9-13(21)12-15(17)18(20(25)27)23-24-19(26)14-7-4-5-8-16(14)22/h4-5,7-10,12,27H,2-3,6,11H2,1H3/b24-23+
InChIKeyPQXYASPSCHAKOL-WCWDXBQESA-N
MW448.75 g/mol
LogP6.88
Rot. Bonds6

About N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide

N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide (PubChem CID 135726463) has the molecular formula C20H19BrClN3O2 and a molecular weight of 448.75 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
PubChem CID135726463
Molecular FormulaC20H19BrClN3O2
Molecular Weight448.75 g/mol
Exact Mass447.03
IUPAC NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C20H19BrClN3O2/c1-2-3-6-11-25-17-10-9-13(21)12-15(17)18(20(25)27)23-24-19(26)14-7-4-5-8-16(14)22/h4-5,7-10,12,27H,2-3,6,11H2,1H3/b24-23+
InChIKeyPQXYASPSCHAKOL-WCWDXBQESA-N
XLogP6.88
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.75
LogP ≤ 56.88
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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Related Compounds

N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-chlorobenzamide
CID 5128171
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
2-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
CID 3366985
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
CID 3838803
2-chloro-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502814
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-chloro-4,5-difluorobenzamide
CID 137172216
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-4-nitrobenzamide
CID 135604124
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide (CID 135726463) is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide is CCCCCn1c(O)c(/N=N/C(=O)c2ccccc2Cl)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide?
The InChIKey is PQXYASPSCHAKOL-WCWDXBQESA-N. The full InChI is InChI=1S/C20H19BrClN3O2/c1-2-3-6-11-25-17-10-9-13(21)12-15(17)18(20(25)27)23-24-19(26)14-7-4-5-8-16(14)22/h4-5,7-10,12,27H,2-3,6,11H2,1H3/b24-23+.
What are the key properties of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide?
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide has a molecular weight of 448.75 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide is sourced from PubChem (CID 135726463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).