2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide

C17H12Cl3NO2 — CID 70200090

IUPAC2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cccc2c1C
InChIInChI=1S/C17H12Cl3NO2/c1-8-9(2)23-16-11(8)4-3-5-14(16)21-17(22)15-12(19)6-10(18)7-13(15)20/h3-7H,1-2H3,(H,21,22)
InChIKeyNTMPSFPIMSLDDS-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.26
Rot. Bonds2

About 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide

2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide (PubChem CID 70200090) has the molecular formula C17H12Cl3NO2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
PubChem CID70200090
Molecular FormulaC17H12Cl3NO2
Molecular Weight368.65 g/mol
Exact Mass366.99
IUPAC Name2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cccc2c1C
InChIInChI=1S/C17H12Cl3NO2/c1-8-9(2)23-16-11(8)4-3-5-14(16)21-17(22)15-12(19)6-10(18)7-13(15)20/h3-7H,1-2H3,(H,21,22)
InChIKeyNTMPSFPIMSLDDS-UHFFFAOYSA-N
XLogP6.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
CID 174281750
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-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
CID 139721691
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The IUPAC name of 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide (CID 70200090) is 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide.
What is the SMILES notation for 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The canonical SMILES for 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide is Cc1oc2c(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cccc2c1C.
What is the InChIKey of 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
The InChIKey is NTMPSFPIMSLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO2/c1-8-9(2)23-16-11(8)4-3-5-14(16)21-17(22)15-12(19)6-10(18)7-13(15)20/h3-7H,1-2H3,(H,21,22).
What are the key properties of 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide?
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide has a molecular weight of 368.65 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide is sourced from PubChem (CID 70200090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).