6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

C20H18BrClN2O3 — CID 118984847

IUPAC6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2cc(Br)ccc12
InChIInChI=1S/C20H18BrClN2O3/c1-12-14-6-5-13(21)11-17(14)27-19(12)20(25)23-16-4-2-3-15(22)18(16)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25)
InChIKeyUSHVFIKHEUYAKS-UHFFFAOYSA-N
MW449.73 g/mol
LogP5.25
Rot. Bonds3

About 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 118984847) has the molecular formula C20H18BrClN2O3 and a molecular weight of 449.73 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID118984847
Molecular FormulaC20H18BrClN2O3
Molecular Weight449.73 g/mol
Exact Mass448.02
IUPAC Name6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2cc(Br)ccc12
InChIInChI=1S/C20H18BrClN2O3/c1-12-14-6-5-13(21)11-17(14)27-19(12)20(25)23-16-4-2-3-15(22)18(16)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25)
InChIKeyUSHVFIKHEUYAKS-UHFFFAOYSA-N
XLogP5.25
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
3-bromo-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3312197
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 17177028
N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 41270971

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 118984847) is 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is USHVFIKHEUYAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O3/c1-12-14-6-5-13(21)11-17(14)27-19(12)20(25)23-16-4-2-3-15(22)18(16)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25).
What are the key properties of 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 449.73 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118984847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).