N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide

C19H19ClFN3O4S — CID 138615615

IUPACN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(SN2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O4S/c1-27-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)29-24-6-8-28-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyQUOFEKVKMXXAAN-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.90
Rot. Bonds5

About N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide

N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide (PubChem CID 138615615) has the molecular formula C19H19ClFN3O4S and a molecular weight of 439.90 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide
PubChem CID138615615
Molecular FormulaC19H19ClFN3O4S
Molecular Weight439.90 g/mol
Exact Mass439.08
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(SN2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O4S/c1-27-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)29-24-6-8-28-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyQUOFEKVKMXXAAN-UHFFFAOYSA-N
XLogP2.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide (CID 138615615) is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(SN2CCOCC2)ccc1F.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide?
The InChIKey is QUOFEKVKMXXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O4S/c1-27-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)29-24-6-8-28-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide has a molecular weight of 439.90 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide is sourced from PubChem (CID 138615615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).