N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide

C19H12FN3O3 — CID 3375535

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H12FN3O3/c20-12-5-6-15-13(9-12)17(19(26)21-15)22-23-18(25)14-7-10-3-1-2-4-11(10)8-16(14)24/h1-9,21,24,26H/b23-22+
InChIKeyWYTLSAJAXISPEI-GHVJWSGMSA-N
MW349.32 g/mol
LogP4.80
Rot. Bonds2

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3375535) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3375535
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H12FN3O3/c20-12-5-6-15-13(9-12)17(19(26)21-15)22-23-18(25)14-7-10-3-1-2-4-11(10)8-16(14)24/h1-9,21,24,26H/b23-22+
InChIKeyWYTLSAJAXISPEI-GHVJWSGMSA-N
XLogP4.80
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide (CID 3375535) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WYTLSAJAXISPEI-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-12-5-6-15-13(9-12)17(19(26)21-15)22-23-18(25)14-7-10-3-1-2-4-11(10)8-16(14)24/h1-9,21,24,26H/b23-22+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3375535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).