N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide

C14H12ClNO4 — CID 106685734

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12ClNO4/c1-8(16-14(17)10-4-5-18-13(10)15)9-2-3-11-12(6-9)20-7-19-11/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyLWPIKSZOPNVGMB-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide (PubChem CID 106685734) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
PubChem CID106685734
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12ClNO4/c1-8(16-14(17)10-4-5-18-13(10)15)9-2-3-11-12(6-9)20-7-19-11/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyLWPIKSZOPNVGMB-UHFFFAOYSA-N
XLogP3.15
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18143474
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 18143595
(2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 35067201
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 55501426
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
3-[1-(1,3-benzodioxol-5-yl)ethyl]-1-[(4-chlorophenyl)methyl]-1-methylurea
CID 51326047
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide (CID 106685734) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide is CC(NC(=O)c1ccoc1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide?
The InChIKey is LWPIKSZOPNVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-8(16-14(17)10-4-5-18-13(10)15)9-2-3-11-12(6-9)20-7-19-11/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106685734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).