N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide

C15H9F2N3O3 — CID 72721823

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1
InChIInChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-9-10(7-12(11)23-15)19-14(18-9)20-13(21)8-4-2-1-3-5-8/h1-7H,(H2,18,19,20,21)
InChIKeyLRLBSQFJAQRRDU-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.14
Rot. Bonds2

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide (PubChem CID 72721823) has the molecular formula C15H9F2N3O3 and a molecular weight of 317.25 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
PubChem CID72721823
Molecular FormulaC15H9F2N3O3
Molecular Weight317.25 g/mol
Exact Mass317.06
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1
InChIInChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-9-10(7-12(11)23-15)19-14(18-9)20-13(21)8-4-2-1-3-5-8/h1-7H,(H2,18,19,20,21)
InChIKeyLRLBSQFJAQRRDU-UHFFFAOYSA-N
XLogP3.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
CID 72720483
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
CID 72721720
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methylbenzamide
CID 162594450
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 118117740
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethyl)benzamide
CID 118137003
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4H-imidazole-5-carboxamide
CID 146981611
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide
CID 72720604
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
CID 146929473
N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide
CID 143135968
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 123432765
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2,3-dimethyl-2H-furan-3-carboxamide
CID 123192464
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide (CID 72721823) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide?
The InChIKey is LRLBSQFJAQRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-9-10(7-12(11)23-15)19-14(18-9)20-13(21)8-4-2-1-3-5-8/h1-7H,(H2,18,19,20,21).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide has a molecular weight of 317.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide is sourced from PubChem (CID 72721823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).