3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide

C22H23FN4O2 — CID 55857379

IUPAC3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14-24-10-11-27(14)19-9-8-17(13-18(19)23)25-20(28)15-6-5-7-16(12-15)26-21(29)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyIVXQHECTJIDRID-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.56
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide (PubChem CID 55857379) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
PubChem CID55857379
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14-24-10-11-27(14)19-9-8-17(13-18(19)23)25-20(28)15-6-5-7-16(12-15)26-21(29)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyIVXQHECTJIDRID-UHFFFAOYSA-N
XLogP4.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 55856112
2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55856619
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
CID 166405500
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-(2,2-dimethylpropanoylamino)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38118120
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94639479
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide (CID 55857379) is 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide is Cc1nccn1-c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1F.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The InChIKey is IVXQHECTJIDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-24-10-11-27(14)19-9-8-17(13-18(19)23)25-20(28)15-6-5-7-16(12-15)26-21(29)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55857379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).