5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide

C16H14ClNO3 — CID 18109842

IUPAC5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccco2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO3/c1-10-13-8-11(17)5-6-14(13)21-15(10)16(19)18(2)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3
InChIKeyQPUJBULPDVHZAL-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.26
Rot. Bonds3

About 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide

5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 18109842) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID18109842
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccco2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO3/c1-10-13-8-11(17)5-6-14(13)21-15(10)16(19)18(2)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3
InChIKeyQPUJBULPDVHZAL-UHFFFAOYSA-N
XLogP4.26
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8555573
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7692988
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19120210
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 26587128
N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31236171
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
ethyl 5-[[4-chloro-2-[[dimethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl]-ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 170308530
5-fluoro-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 19243845
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 18109842) is 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccco2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is QPUJBULPDVHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-13-8-11(17)5-6-14(13)21-15(10)16(19)18(2)9-12-4-3-7-20-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18109842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).