N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

C21H18N2O5 — CID 2197267

IUPACN-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-11,16H,12-13H2,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyRCBVVLCKTHDFDY-MRXNPFEDSA-N
MW378.38 g/mol
LogP3.10
Rot. Bonds5

About N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 2197267) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID2197267
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-11,16H,12-13H2,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyRCBVVLCKTHDFDY-MRXNPFEDSA-N
XLogP3.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
5-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 2945325
2-chloro-N-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]benzamide
CID 2197223
N-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 99883314
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(ethylsulfonylamino)benzamide
CID 100577677
N-[3-[[[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111270306
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 42994565
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 2197267) is N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RCBVVLCKTHDFDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-11,16H,12-13H2,(H,22,24)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2197267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).