5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C17H12Cl2FNO2 — CID 31361245

IUPAC5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12Cl2FNO2/c1-21(9-12-13(19)3-2-4-14(12)20)17(22)16-8-10-7-11(18)5-6-15(10)23-16/h2-8H,9H2,1H3
InChIKeyONVFBJKHSRVODK-UHFFFAOYSA-N
MW352.19 g/mol
LogP5.15
Rot. Bonds3

About 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 31361245) has the molecular formula C17H12Cl2FNO2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID31361245
Molecular FormulaC17H12Cl2FNO2
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12Cl2FNO2/c1-21(9-12-13(19)3-2-4-14(12)20)17(22)16-8-10-7-11(18)5-6-15(10)23-16/h2-8H,9H2,1H3
InChIKeyONVFBJKHSRVODK-UHFFFAOYSA-N
XLogP5.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.19
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18112157
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18079967
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 31361245) is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ONVFBJKHSRVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO2/c1-21(9-12-13(19)3-2-4-14(12)20)17(22)16-8-10-7-11(18)5-6-15(10)23-16/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31361245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).