N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide

C14H12ClNO4 — CID 32754750

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H12ClNO4/c1-16(14(17)11-4-5-13(15)20-11)7-9-2-3-10-12(6-9)19-8-18-10/h2-6H,7-8H2,1H3
InChIKeyNIGVQKYATAGQPD-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.93
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide (PubChem CID 32754750) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
PubChem CID32754750
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H12ClNO4/c1-16(14(17)11-4-5-13(15)20-11)7-9-2-3-10-12(6-9)19-8-18-10/h2-6H,7-8H2,1H3
InChIKeyNIGVQKYATAGQPD-UHFFFAOYSA-N
XLogP2.93
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-methyl-2H-chromene-3-carboxamide
CID 51257741

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide (CID 32754750) is N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide?
The InChIKey is NIGVQKYATAGQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-16(14(17)11-4-5-13(15)20-11)7-9-2-3-10-12(6-9)19-8-18-10/h2-6H,7-8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide is sourced from PubChem (CID 32754750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).