2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide

C15H16ClNO4 — CID 106685743

IUPAC2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccoc2Cl)c1OC
InChIInChI=1S/C15H16ClNO4/c1-17(15(18)11-7-8-21-14(11)16)9-10-5-4-6-12(19-2)13(10)20-3/h4-8H,9H2,1-3H3
InChIKeyZRRVBLPJKJFKDO-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide

2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide (PubChem CID 106685743) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
PubChem CID106685743
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccoc2Cl)c1OC
InChIInChI=1S/C15H16ClNO4/c1-17(15(18)11-7-8-21-14(11)16)9-10-5-4-6-12(19-2)13(10)20-3/h4-8H,9H2,1-3H3
InChIKeyZRRVBLPJKJFKDO-UHFFFAOYSA-N
XLogP3.22
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 30836713
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7936274
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide (CID 106685743) is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide is COc1cccc(CN(C)C(=O)c2ccoc2Cl)c1OC.
What is the InChIKey of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The InChIKey is ZRRVBLPJKJFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-17(15(18)11-7-8-21-14(11)16)9-10-5-4-6-12(19-2)13(10)20-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide?
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106685743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).