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

C20H23BrN2O4 — CID 91937888

IUPACN-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H23BrN2O4/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)
InChIKeyUHIGGIAEEFEQGV-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.51
Rot. Bonds7

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

N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (PubChem CID 91937888) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
PubChem CID91937888
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C20H23BrN2O4/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)
InChIKeyUHIGGIAEEFEQGV-UHFFFAOYSA-N
XLogP3.51
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.51
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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Related Compounds

3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 56675699
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
N-[3-(2-morpholin-4-ylethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95851842
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide (CID 91937888) is N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is O=C(Nc1cccc(Br)c1)c1ccc(OCCCN2CCOCC2)cc1O.
What is the InChIKey of N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
The InChIKey is UHIGGIAEEFEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/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-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide?
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide has a molecular weight of 435.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide is sourced from PubChem (CID 91937888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).