N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide

C18H16FN3O5 — CID 135836838

IUPACN-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16FN3O5/c1-25-13-6-9(7-14(26-2)16(13)27-3)17(23)22-21-15-11-5-4-10(19)8-12(11)20-18(15)24/h4-8,20,24H,1-3H3/b22-21+
InChIKeyAYHFYJQBYGKERJ-QURGRASLSA-N
MW373.34 g/mol
LogP3.96
Rot. Bonds5

About N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide

N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide (PubChem CID 135836838) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
PubChem CID135836838
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC NameN-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16FN3O5/c1-25-13-6-9(7-14(26-2)16(13)27-3)17(23)22-21-15-11-5-4-10(19)8-12(11)20-18(15)24/h4-8,20,24H,1-3H3/b22-21+
InChIKeyAYHFYJQBYGKERJ-QURGRASLSA-N
XLogP3.96
TPSA105.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135735285
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
ethyl N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]carbamate
CID 135836804
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56646815
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 135677318

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide (CID 135836838) is N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc(OC)c1OC.
What is the InChIKey of N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The InChIKey is AYHFYJQBYGKERJ-QURGRASLSA-N. The full InChI is InChI=1S/C18H16FN3O5/c1-25-13-6-9(7-14(26-2)16(13)27-3)17(23)22-21-15-11-5-4-10(19)8-12(11)20-18(15)24/h4-8,20,24H,1-3H3/b22-21+.
What are the key properties of N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide has a molecular weight of 373.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 135836838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).