2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H13F2N3O — CID 62662294

IUPAC2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyXTMGYCDRKJBHQT-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.97
Rot. Bonds3

About 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 62662294) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID62662294
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyXTMGYCDRKJBHQT-UHFFFAOYSA-N
XLogP1.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63025604
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 62662294) is 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CN(Cc1nccn1C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is XTMGYCDRKJBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 265.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 62662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).