5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C21H21BrN2O3 — CID 78868141

IUPAC5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C21H21BrN2O3/c22-18-5-6-19-17(11-18)12-20(27-19)21(25)23-13-15-1-3-16(4-2-15)14-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25)
InChIKeyHOCLDXBEQFCZGU-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.96
Rot. Bonds5

About 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 78868141) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID78868141
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC Name5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C21H21BrN2O3/c22-18-5-6-19-17(11-18)12-20(27-19)21(25)23-13-15-1-3-16(4-2-15)14-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25)
InChIKeyHOCLDXBEQFCZGU-UHFFFAOYSA-N
XLogP3.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
(E)-3-(5-bromo-2-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 18289148
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
CID 91653338
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
1-[3-(3-bromophenyl)propyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902149

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 78868141) is 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HOCLDXBEQFCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c22-18-5-6-19-17(11-18)12-20(27-19)21(25)23-13-15-1-3-16(4-2-15)14-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25).
What are the key properties of 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78868141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).