2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide

C14H12ClNO4 — CID 106913105

IUPAC2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccoc1Cl
InChIInChI=1S/C14H12ClNO4/c15-12-11(4-5-18-12)13(17)16-10-3-1-2-9(8-10)14-19-6-7-20-14/h1-5,8,14H,6-7H2,(H,16,17)
InChIKeyLVVBCMVJIWUNNN-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide

2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide (PubChem CID 106913105) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
PubChem CID106913105
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccoc1Cl
InChIInChI=1S/C14H12ClNO4/c15-12-11(4-5-18-12)13(17)16-10-3-1-2-9(8-10)14-19-6-7-20-14/h1-5,8,14H,6-7H2,(H,16,17)
InChIKeyLVVBCMVJIWUNNN-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
CID 106685634
2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
CID 106686038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide (CID 106913105) is 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is LVVBCMVJIWUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-12-11(4-5-18-12)13(17)16-10-3-1-2-9(8-10)14-19-6-7-20-14/h1-5,8,14H,6-7H2,(H,16,17).
What are the key properties of 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide?
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106913105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).