5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide

C13H10Cl3NO2 — CID 103601901

IUPAC5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H10Cl3NO2/c1-17(13(18)11-4-5-12(16)19-11)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3
InChIKeyJJRITIKBQJCKLU-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.51
Rot. Bonds3

About 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide

5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 103601901) has the molecular formula C13H10Cl3NO2 and a molecular weight of 318.59 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID103601901
Molecular FormulaC13H10Cl3NO2
Molecular Weight318.59 g/mol
Exact Mass316.98
IUPAC Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H10Cl3NO2/c1-17(13(18)11-4-5-12(16)19-11)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3
InChIKeyJJRITIKBQJCKLU-UHFFFAOYSA-N
XLogP4.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60794455
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide (CID 103601901) is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is JJRITIKBQJCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO2/c1-17(13(18)11-4-5-12(16)19-11)7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 318.59 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 103601901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).