2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide

C18H19BrN2O3 — CID 110359755

IUPAC2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(21-8-10-24-11-9-21)12-16(17)20-18(22)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyLWBLGHGFGZFITP-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.55
Rot. Bonds4

About 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide

2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide (PubChem CID 110359755) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
PubChem CID110359755
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(21-8-10-24-11-9-21)12-16(17)20-18(22)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyLWBLGHGFGZFITP-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 131922121
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide (CID 110359755) is 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide is COc1ccc(N2CCOCC2)cc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide?
The InChIKey is LWBLGHGFGZFITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(21-8-10-24-11-9-21)12-16(17)20-18(22)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide?
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110359755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).