6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide

C14H10F2N2O3 — CID 103542895

IUPAC6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESNc1cc2c(cc1C(=O)Nc1cccc(F)c1F)OCO2
InChIInChI=1S/C14H10F2N2O3/c15-8-2-1-3-10(13(8)16)18-14(19)7-4-11-12(5-9(7)17)21-6-20-11/h1-5H,6,17H2,(H,18,19)
InChIKeyGPKSFDKZMCPFBK-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.53
Rot. Bonds2

About 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide

6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103542895) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID103542895
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESNc1cc2c(cc1C(=O)Nc1cccc(F)c1F)OCO2
InChIInChI=1S/C14H10F2N2O3/c15-8-2-1-3-10(13(8)16)18-14(19)7-4-11-12(5-9(7)17)21-6-20-11/h1-5H,6,17H2,(H,18,19)
InChIKeyGPKSFDKZMCPFBK-UHFFFAOYSA-N
XLogP2.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-bromo-6-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 107596239
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
6-amino-N-(4-chloro-2-iodophenyl)-1,3-benzodioxole-5-carboxamide
CID 107624179
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
6-bromo-N-(3-cyano-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 146464697
6-amino-N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
CID 103542764
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
6-amino-N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542800
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide (CID 103542895) is 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide is Nc1cc2c(cc1C(=O)Nc1cccc(F)c1F)OCO2.
What is the InChIKey of 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is GPKSFDKZMCPFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-8-2-1-3-10(13(8)16)18-14(19)7-4-11-12(5-9(7)17)21-6-20-11/h1-5H,6,17H2,(H,18,19).
What are the key properties of 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 292.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103542895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).