N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide

C16H9F3IN3O3 — CID 135532875

IUPACN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H9F3IN3O3/c17-16(18,19)26-10-4-1-8(2-5-10)14(24)23-22-13-11-7-9(20)3-6-12(11)21-15(13)25/h1-7,21,25H/b23-22+
InChIKeyPSGZGCVIHYNGFP-GHVJWSGMSA-N
MW475.16 g/mol
LogP5.30
Rot. Bonds3

About N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide

N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide (PubChem CID 135532875) has the molecular formula C16H9F3IN3O3 and a molecular weight of 475.16 g/mol. Its IUPAC name is N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide
PubChem CID135532875
Molecular FormulaC16H9F3IN3O3
Molecular Weight475.16 g/mol
Exact Mass474.96
IUPAC NameN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H9F3IN3O3/c17-16(18,19)26-10-4-1-8(2-5-10)14(24)23-22-13-11-7-9(20)3-6-12(11)21-15(13)25/h1-7,21,25H/b23-22+
InChIKeyPSGZGCVIHYNGFP-GHVJWSGMSA-N
XLogP5.30
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.16
LogP ≤ 55.30
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide
CID 3272073
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[[(2S,3R)-3-[4-[(5-bromo-2-hydroxy-1H-indol-3-yl)iminocarbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
CID 136911774
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]benzamide
CID 155523855
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135735285
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide (CID 135532875) is N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide is O=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide?
The InChIKey is PSGZGCVIHYNGFP-GHVJWSGMSA-N. The full InChI is InChI=1S/C16H9F3IN3O3/c17-16(18,19)26-10-4-1-8(2-5-10)14(24)23-22-13-11-7-9(20)3-6-12(11)21-15(13)25/h1-7,21,25H/b23-22+.
What are the key properties of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide?
N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide has a molecular weight of 475.16 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 135532875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).