N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide

C20H23ClN2O4 — CID 91937889

IUPACN-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H23ClN2O4/c21-15-3-1-4-16(13-15)22-20(25)18-6-5-17(14-19(18)24)27-10-2-7-23-8-11-26-12-9-23/h1,3-6,13-14,24H,2,7-12H2,(H,22,25)
InChIKeyMOHICSQIFBMWEE-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.40
Rot. Bonds7

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

N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (PubChem CID 91937889) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
PubChem CID91937889
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H23ClN2O4/c21-15-3-1-4-16(13-15)22-20(25)18-6-5-17(14-19(18)24)27-10-2-7-23-8-11-26-12-9-23/h1,3-6,13-14,24H,2,7-12H2,(H,22,25)
InChIKeyMOHICSQIFBMWEE-UHFFFAOYSA-N
XLogP3.40
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.40
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-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (CID 91937889) is N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(OCCCN2CCOCC2)cc1O.
What is the InChIKey of N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The InChIKey is MOHICSQIFBMWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c21-15-3-1-4-16(13-15)22-20(25)18-6-5-17(14-19(18)24)27-10-2-7-23-8-11-26-12-9-23/h1,3-6,13-14,24H,2,7-12H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide has a molecular weight of 390.87 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is sourced from PubChem (CID 91937889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).