N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide

C15H12N2O4 — CID 35142870

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O4/c18-14(10-4-2-1-3-5-10)17-15(19)16-11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2,(H2,16,17,18,19)
InChIKeyOSQJVMGNTLZXGD-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.38
Rot. Bonds2

About N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide

N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide (PubChem CID 35142870) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
PubChem CID35142870
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O4/c18-14(10-4-2-1-3-5-10)17-15(19)16-11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2,(H2,16,17,18,19)
InChIKeyOSQJVMGNTLZXGD-UHFFFAOYSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10291634
N-[(3-iodo-4-methylphenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10273895
N-[3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326484
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
3-(1,3-benzodioxol-5-ylamino)-1-phenylbut-2-en-1-one
CID 896427
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(2-amino-1,2-dicyanoethenyl)-3-(1,3-benzodioxol-5-yl)urea
CID 146158017
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide (CID 35142870) is N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide?
The InChIKey is OSQJVMGNTLZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14(10-4-2-1-3-5-10)17-15(19)16-11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2,(H2,16,17,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide has a molecular weight of 284.27 g/mol, XLogP of 2.38, 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-ylcarbamoyl)benzamide is sourced from PubChem (CID 35142870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).