5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide

C19H19ClFN3O3 — CID 9040643

IUPAC5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O3/c1-12(22-23-19(26)15-11-14(20)3-5-18(15)25)13-2-4-17(16(21)10-13)24-6-8-27-9-7-24/h2-5,10-11,25H,6-9H2,1H3,(H,23,26)/b22-12-
InChIKeyFTPHMMDQMFJZPP-UUYOSTAYSA-N
MW391.83 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide

5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 9040643) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID9040643
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC Name5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O3/c1-12(22-23-19(26)15-11-14(20)3-5-18(15)25)13-2-4-17(16(21)10-13)24-6-8-27-9-7-24/h2-5,10-11,25H,6-9H2,1H3,(H,23,26)/b22-12-
InChIKeyFTPHMMDQMFJZPP-UUYOSTAYSA-N
XLogP3.18
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide (CID 9040643) is 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide is C/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is FTPHMMDQMFJZPP-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-12(22-23-19(26)15-11-14(20)3-5-18(15)25)13-2-4-17(16(21)10-13)24-6-8-27-9-7-24/h2-5,10-11,25H,6-9H2,1H3,(H,23,26)/b22-12-.
What are the key properties of 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide?
5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 391.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 9040643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).