5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C22H23BrN2O3 — CID 60557641

IUPAC5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccc(CN3CCOCC3)c2)oc2ccc(Br)cc12
InChIInChI=1S/C22H23BrN2O3/c1-15-19-12-18(23)5-6-20(19)28-21(15)22(26)24-13-16-3-2-4-17(11-16)14-25-7-9-27-10-8-25/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,26)
InChIKeyHJIFOUSCKMVCLQ-UHFFFAOYSA-N
MW443.34 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 60557641) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID60557641
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccc(CN3CCOCC3)c2)oc2ccc(Br)cc12
InChIInChI=1S/C22H23BrN2O3/c1-15-19-12-18(23)5-6-20(19)28-21(15)22(26)24-13-16-3-2-4-17(11-16)14-25-7-9-27-10-8-25/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,26)
InChIKeyHJIFOUSCKMVCLQ-UHFFFAOYSA-N
XLogP4.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55709892
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
5-bromo-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-benzofuran-2-carboxamide
CID 8852037
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
CID 91653338
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 60557641) is 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccc(CN3CCOCC3)c2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HJIFOUSCKMVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c1-15-19-12-18(23)5-6-20(19)28-21(15)22(26)24-13-16-3-2-4-17(11-16)14-25-7-9-27-10-8-25/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,26).
What are the key properties of 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 443.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60557641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).