7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C19H16BrClN2O3 — CID 38910561

IUPAC7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H16BrClN2O3/c20-14-3-1-2-12-10-17(26-18(12)14)19(24)22-15-11-13(21)4-5-16(15)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2,(H,22,24)
InChIKeyVPZPJDCHQOCQIZ-UHFFFAOYSA-N
MW435.71 g/mol
LogP4.94
Rot. Bonds3

About 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 38910561) has the molecular formula C19H16BrClN2O3 and a molecular weight of 435.71 g/mol. Its IUPAC name is 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID38910561
Molecular FormulaC19H16BrClN2O3
Molecular Weight435.71 g/mol
Exact Mass434.00
IUPAC Name7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H16BrClN2O3/c20-14-3-1-2-12-10-17(26-18(12)14)19(24)22-15-11-13(21)4-5-16(15)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2,(H,22,24)
InChIKeyVPZPJDCHQOCQIZ-UHFFFAOYSA-N
XLogP4.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 46450917
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117728
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 38910561) is 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is VPZPJDCHQOCQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O3/c20-14-3-1-2-12-10-17(26-18(12)14)19(24)22-15-11-13(21)4-5-16(15)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2,(H,22,24).
What are the key properties of 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 435.71 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38910561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).