2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide

C23H18Cl2N2O2 — CID 139721707

IUPAC2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCc1ccccn1
InChIInChI=1S/C23H18Cl2N2O2/c1-14-16(12-11-15-6-2-3-13-26-15)17-7-4-10-20(22(17)29-14)27-23(28)21-18(24)8-5-9-19(21)25/h2-10,13H,11-12H2,1H3,(H,27,28)
InChIKeyBURYWDKYWSZQKH-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.48
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide

2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide (PubChem CID 139721707) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
PubChem CID139721707
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCc1ccccn1
InChIInChI=1S/C23H18Cl2N2O2/c1-14-16(12-11-15-6-2-3-13-26-15)17-7-4-10-20(22(17)29-14)27-23(28)21-18(24)8-5-9-19(21)25/h2-10,13H,11-12H2,1H3,(H,27,28)
InChIKeyBURYWDKYWSZQKH-UHFFFAOYSA-N
XLogP6.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
CID 139721691
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide (CID 139721707) is 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCc1ccccn1.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide?
The InChIKey is BURYWDKYWSZQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c1-14-16(12-11-15-6-2-3-13-26-15)17-7-4-10-20(22(17)29-14)27-23(28)21-18(24)8-5-9-19(21)25/h2-10,13H,11-12H2,1H3,(H,27,28).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide has a molecular weight of 425.32 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 139721707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).