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

C20H20Cl2N2O2 — CID 70201589

IUPAC2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)ccc(CN(C)C)c3Cl)cccc2c1C
InChIInChI=1S/C20H20Cl2N2O2/c1-11-12(2)26-19-14(11)6-5-7-16(19)23-20(25)17-15(21)9-8-13(18(17)22)10-24(3)4/h5-9H,10H2,1-4H3,(H,23,25)
InChIKeyKNSGDDHDIZAKLX-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.67
Rot. Bonds4

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

2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide (PubChem CID 70201589) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
PubChem CID70201589
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)ccc(CN(C)C)c3Cl)cccc2c1C
InChIInChI=1S/C20H20Cl2N2O2/c1-11-12(2)26-19-14(11)6-5-7-16(19)23-20(25)17-15(21)9-8-13(18(17)22)10-24(3)4/h5-9H,10H2,1-4H3,(H,23,25)
InChIKeyKNSGDDHDIZAKLX-UHFFFAOYSA-N
XLogP5.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
CID 174281750
2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide
CID 70199710
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
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-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
N-(3-acetyl-2-ethyl-1-benzofuran-7-yl)-2,6-dichloro-3-nitrobenzamide
CID 67695052
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
CID 54033825

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The IUPAC name of 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide (CID 70201589) is 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The canonical SMILES for 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide is Cc1oc2c(NC(=O)c3c(Cl)ccc(CN(C)C)c3Cl)cccc2c1C.
What is the InChIKey of 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The InChIKey is KNSGDDHDIZAKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-11-12(2)26-19-14(11)6-5-7-16(19)23-20(25)17-15(21)9-8-13(18(17)22)10-24(3)4/h5-9H,10H2,1-4H3,(H,23,25).
What are the key properties of 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide has a molecular weight of 391.30 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide is sourced from PubChem (CID 70201589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).