N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide

C21H18N2O5 — CID 55822667

IUPACN-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H18N2O5/c1-23(12-14-7-8-17-19(10-14)28-13-27-17)21(25)15-4-2-5-16(11-15)22-20(24)18-6-3-9-26-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyINLSBARXCWONSG-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.53
Rot. Bonds5

About N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide

N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55822667) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55822667
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H18N2O5/c1-23(12-14-7-8-17-19(10-14)28-13-27-17)21(25)15-4-2-5-16(11-15)22-20(24)18-6-3-9-26-18/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyINLSBARXCWONSG-UHFFFAOYSA-N
XLogP3.53
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 27863807
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55822667) is N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is INLSBARXCWONSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-23(12-14-7-8-17-19(10-14)28-13-27-17)21(25)15-4-2-5-16(11-15)22-20(24)18-6-3-9-26-18/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55822667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).