N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide

C20H15N3O6 — CID 9273872

IUPACN-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15N3O6/c24-18(22-23-19(25)13-5-8-15-17(10-13)29-11-28-15)12-3-6-14(7-4-12)21-20(26)16-2-1-9-27-16/h1-10H,11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFOPSVLORJMERJT-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.34
Rot. Bonds4

About N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9273872) has the molecular formula C20H15N3O6 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9273872
Molecular FormulaC20H15N3O6
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC NameN-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15N3O6/c24-18(22-23-19(25)13-5-8-15-17(10-13)29-11-28-15)12-3-6-14(7-4-12)21-20(26)16-2-1-9-27-16/h1-10H,11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFOPSVLORJMERJT-UHFFFAOYSA-N
XLogP2.34
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090058
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
2-chloro-N-(3-methylphenyl)acetamide;N-(3-methylphenyl)benzamide;N-(3-methylphenyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylphenyl)furan-2-carboxamide
CID 157110494
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide (CID 9273872) is N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide is O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FOPSVLORJMERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6/c24-18(22-23-19(25)13-5-8-15-17(10-13)29-11-28-15)12-3-6-14(7-4-12)21-20(26)16-2-1-9-27-16/h1-10H,11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 393.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9273872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).