N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide

C15H12N2O4 — CID 788810

IUPACN-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H12N2O4/c16-14(18)9-1-4-11(5-2-9)17-15(19)10-3-6-12-13(7-10)21-8-20-12/h1-7H,8H2,(H2,16,18)(H,17,19)
InChIKeyVXSFBMRXUSFAIT-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.77
Rot. Bonds3

About N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide

N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 788810) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID788810
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H12N2O4/c16-14(18)9-1-4-11(5-2-9)17-15(19)10-3-6-12-13(7-10)21-8-20-12/h1-7H,8H2,(H2,16,18)(H,17,19)
InChIKeyVXSFBMRXUSFAIT-UHFFFAOYSA-N
XLogP1.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
1-(1,3-Benzodioxol-5-yl)-3-(3-fluoroanilino)-2-propen-1-one
CID 5310801
1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
CID 669591
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide (CID 788810) is N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is VXSFBMRXUSFAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c16-14(18)9-1-4-11(5-2-9)17-15(19)10-3-6-12-13(7-10)21-8-20-12/h1-7H,8H2,(H2,16,18)(H,17,19).
What are the key properties of N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 788810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).