N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide

C20H22ClFN2O4 — CID 91937892

IUPACN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H22ClFN2O4/c21-17-12-14(2-5-18(17)22)23-20(26)16-4-3-15(13-19(16)25)28-9-1-6-24-7-10-27-11-8-24/h2-5,12-13,25H,1,6-11H2,(H,23,26)
InChIKeyUSCNGGLGTJXIDR-UHFFFAOYSA-N
MW408.86 g/mol
LogP3.54
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide

N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (PubChem CID 91937892) has the molecular formula C20H22ClFN2O4 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
PubChem CID91937892
Molecular FormulaC20H22ClFN2O4
Molecular Weight408.86 g/mol
Exact Mass408.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H22ClFN2O4/c21-17-12-14(2-5-18(17)22)23-20(26)16-4-3-15(13-19(16)25)28-9-1-6-24-7-10-27-11-8-24/h2-5,12-13,25H,1,6-11H2,(H,23,26)
InChIKeyUSCNGGLGTJXIDR-UHFFFAOYSA-N
XLogP3.54
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (CID 91937892) is N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The InChIKey is USCNGGLGTJXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4/c21-17-12-14(2-5-18(17)22)23-20(26)16-4-3-15(13-19(16)25)28-9-1-6-24-7-10-27-11-8-24/h2-5,12-13,25H,1,6-11H2,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide has a molecular weight of 408.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is sourced from PubChem (CID 91937892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).