2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide

C17H20F2N4O2 — CID 67971063

IUPAC2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C17H20F2N4O2/c1-17(2,3)15(25)22-9-10-4-5-11(13(18)19)12(8-10)14(24)23-16-20-6-7-21-16/h4-8,13H,9H2,1-3H3,(H,22,25)(H2,20,21,23,24)
InChIKeyPYFQAORCBUJYTR-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.26
Rot. Bonds5

About 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide

2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide (PubChem CID 67971063) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
PubChem CID67971063
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C17H20F2N4O2/c1-17(2,3)15(25)22-9-10-4-5-11(13(18)19)12(8-10)14(24)23-16-20-6-7-21-16/h4-8,13H,9H2,1-3H3,(H,22,25)(H2,20,21,23,24)
InChIKeyPYFQAORCBUJYTR-UHFFFAOYSA-N
XLogP3.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide (CID 67971063) is 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide is CC(C)(C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is PYFQAORCBUJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-17(2,3)15(25)22-9-10-4-5-11(13(18)19)12(8-10)14(24)23-16-20-6-7-21-16/h4-8,13H,9H2,1-3H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 350.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 67971063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).