3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide

C19H15FN2O3 — CID 11024220

IUPAC3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1
InChIInChI=1S/C19H15FN2O3/c20-17-9-12(7-8-18(17)24)19(25)22-21-10-13-5-6-14(11-23)16-4-2-1-3-15(13)16/h1-10,23-24H,11H2,(H,22,25)/b21-10+
InChIKeySJEQPXGXMCTCKR-UFFVCSGVSA-N
MW338.34 g/mol
LogP2.94
Rot. Bonds4

About 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide

3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide (PubChem CID 11024220) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide
PubChem CID11024220
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1
InChIInChI=1S/C19H15FN2O3/c20-17-9-12(7-8-18(17)24)19(25)22-21-10-13-5-6-14(11-23)16-4-2-1-3-15(13)16/h1-10,23-24H,11H2,(H,22,25)/b21-10+
InChIKeySJEQPXGXMCTCKR-UFFVCSGVSA-N
XLogP2.94
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide (CID 11024220) is 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide?
The InChIKey is SJEQPXGXMCTCKR-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-17-9-12(7-8-18(17)24)19(25)22-21-10-13-5-6-14(11-23)16-4-2-1-3-15(13)16/h1-10,23-24H,11H2,(H,22,25)/b21-10+.
What are the key properties of 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide?
3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide has a molecular weight of 338.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 11024220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).