N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H16N2O5 — CID 1068843

IUPACN-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)
InChIKeyQWGFUNDUGLPNFS-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.56
Rot. Bonds4

About N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 1068843) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID1068843
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)
InChIKeyQWGFUNDUGLPNFS-UHFFFAOYSA-N
XLogP3.56
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 132275014
N-(3-benzamidophenyl)furan-2-carboxamide
CID 825801
N-{4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl}-2-furamide
CID 656254
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-{2-[(3-ethoxybenzoyl)amino]-4-methylphenyl}-2-furamide
CID 1026582
N-(2-methyl-4-{[(3-methylphenoxy)acetyl]amino}phenyl)furan-2-carboxamide
CID 1141329
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
CID 831035
N-[4-(acetylamino)phenyl]-5-[(4-allyl-2-methoxyphenoxy)methyl]-2-furamide
CID 1222301
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-[4-(2-furoylamino)-3-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1370835
N-(4-{[(3,4-diethoxyphenyl)acetyl]amino}phenyl)furan-2-carboxamide
CID 1503622

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 1068843) is N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is QWGFUNDUGLPNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 1068843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).