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

C21H14Cl2N2O2 — CID 70201545

IUPAC2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-c1ccccn1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-18(16-9-2-3-11-24-16)13-6-4-10-17(20(13)27-12)25-21(26)19-14(22)7-5-8-15(19)23/h2-11H,1H3,(H,25,26)
InChIKeyJNPCEGFLESWVJL-UHFFFAOYSA-N
MW397.26 g/mol
LogP6.36
Rot. Bonds3

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

2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide (PubChem CID 70201545) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
PubChem CID70201545
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-c1ccccn1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-18(16-9-2-3-11-24-16)13-6-4-10-17(20(13)27-12)25-21(26)19-14(22)7-5-8-15(19)23/h2-11H,1H3,(H,25,26)
InChIKeyJNPCEGFLESWVJL-UHFFFAOYSA-N
XLogP6.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
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
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
CID 54033825
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide (CID 70201545) is 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-c1ccccn1.
What is the InChIKey of 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide?
The InChIKey is JNPCEGFLESWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c1-12-18(16-9-2-3-11-24-16)13-6-4-10-17(20(13)27-12)25-21(26)19-14(22)7-5-8-15(19)23/h2-11H,1H3,(H,25,26).
What are the key properties of 2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide?
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide has a molecular weight of 397.26 g/mol, XLogP of 6.36, 3 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-pyridin-2-yl-1-benzofuran-7-yl)benzamide is sourced from PubChem (CID 70201545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).