N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide

C16H20BrN3O3 — CID 135580479

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide
SMILESCCCC(CC)C(O)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O3/c1-3-5-9(4-2)14(21)16(23)20-19-13-11-8-10(17)6-7-12(11)18-15(13)22/h6-9,14,18,21-22H,3-5H2,1-2H3/b20-19+
InChIKeyKHUNZVQMFRGKCU-FMQUCBEESA-N
MW382.26 g/mol
LogP4.43
Rot. Bonds6

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide (PubChem CID 135580479) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide
PubChem CID135580479
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide
SMILESCCCC(CC)C(O)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O3/c1-3-5-9(4-2)14(21)16(23)20-19-13-11-8-10(17)6-7-12(11)18-15(13)22/h6-9,14,18,21-22H,3-5H2,1-2H3/b20-19+
InChIKeyKHUNZVQMFRGKCU-FMQUCBEESA-N
XLogP4.43
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.43
H-Bond Donors ≤ 53
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-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
(2R)-2-benzylsulfanyl-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 137077951
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
(2R)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 137172332
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
2-N,4-N-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226370
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135771220
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide
CID 135619155

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide (CID 135580479) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide is CCCC(CC)C(O)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide?
The InChIKey is KHUNZVQMFRGKCU-FMQUCBEESA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-3-5-9(4-2)14(21)16(23)20-19-13-11-8-10(17)6-7-12(11)18-15(13)22/h6-9,14,18,21-22H,3-5H2,1-2H3/b20-19+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide has a molecular weight of 382.26 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide is sourced from PubChem (CID 135580479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).