2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide

C19H16Br2ClN3O3 — CID 4634483

IUPAC2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
SMILESCCCC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C19H16Br2ClN3O3/c1-2-3-15(28-12-6-4-11(22)5-7-12)18(26)25-24-17-13-8-10(20)9-14(21)16(13)23-19(17)27/h4-9,15,23,27H,2-3H2,1H3/b25-24+
InChIKeyFVGLPGGCDSHBKI-OCOZRVBESA-N
MW529.62 g/mol
LogP6.91
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide

2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide (PubChem CID 4634483) has the molecular formula C19H16Br2ClN3O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
PubChem CID4634483
Molecular FormulaC19H16Br2ClN3O3
Molecular Weight529.62 g/mol
Exact Mass526.92
IUPAC Name2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
SMILESCCCC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C19H16Br2ClN3O3/c1-2-3-15(28-12-6-4-11(22)5-7-12)18(26)25-24-17-13-8-10(20)9-14(21)16(13)23-19(17)27/h4-9,15,23,27H,2-3H2,1H3/b25-24+
InChIKeyFVGLPGGCDSHBKI-OCOZRVBESA-N
XLogP6.91
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 56.91
H-Bond Donors ≤ 52
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-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
CID 4011928
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751
4-tert-butyl-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4571048
2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 2319716
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethyl-2-hydroxyhexanamide
CID 135580479
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
(2R)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 137172332
N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
CID 1040030
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide (CID 4634483) is 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide is CCCC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide?
The InChIKey is FVGLPGGCDSHBKI-OCOZRVBESA-N. The full InChI is InChI=1S/C19H16Br2ClN3O3/c1-2-3-15(28-12-6-4-11(22)5-7-12)18(26)25-24-17-13-8-10(20)9-14(21)16(13)23-19(17)27/h4-9,15,23,27H,2-3H2,1H3/b25-24+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide?
2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide has a molecular weight of 529.62 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide is sourced from PubChem (CID 4634483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).