N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide

C15H10Cl2N2O4 — CID 108531049

IUPACN-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H10Cl2N2O4/c16-8-3-9(17)5-11(4-8)19-15(21)14(20)18-10-1-2-12-13(6-10)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyFNWXRBKRCSHTGH-UHFFFAOYSA-N
MW353.16 g/mol
LogP3.30
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide

N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide (PubChem CID 108531049) has the molecular formula C15H10Cl2N2O4 and a molecular weight of 353.16 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
PubChem CID108531049
Molecular FormulaC15H10Cl2N2O4
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H10Cl2N2O4/c16-8-3-9(17)5-11(4-8)19-15(21)14(20)18-10-1-2-12-13(6-10)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyFNWXRBKRCSHTGH-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N'-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956712
N'-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]oxamide
CID 108530599
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
N-(1,3-benzodioxol-5-yl)-N'-(1,3-benzodioxol-5-ylmethylideneamino)oxamide
CID 3937826
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113134144
(E)-N-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 692455
1-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-fluorophenyl)urea
CID 6465931
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
CID 3156756
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide (CID 108531049) is N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide?
The InChIKey is FNWXRBKRCSHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4/c16-8-3-9(17)5-11(4-8)19-15(21)14(20)18-10-1-2-12-13(6-10)23-7-22-12/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide?
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide has a molecular weight of 353.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide is sourced from PubChem (CID 108531049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).