4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide

C14H17FN4O — CID 66131700

IUPAC4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
SMILESCC(C)n1cncc1CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H17FN4O/c1-9(2)19-8-17-6-11(19)7-18-13-5-10(14(16)20)3-4-12(13)15/h3-6,8-9,18H,7H2,1-2H3,(H2,16,20)
InChIKeyQJCJJAWUIPRQEM-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.31
Rot. Bonds5

About 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide

4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide (PubChem CID 66131700) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
PubChem CID66131700
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
SMILESCC(C)n1cncc1CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H17FN4O/c1-9(2)19-8-17-6-11(19)7-18-13-5-10(14(16)20)3-4-12(13)15/h3-6,8-9,18H,7H2,1-2H3,(H2,16,20)
InChIKeyQJCJJAWUIPRQEM-UHFFFAOYSA-N
XLogP2.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66162980
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
4-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130677
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130271
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide (CID 66131700) is 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide is CC(C)n1cncc1CNc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide?
The InChIKey is QJCJJAWUIPRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(2)19-8-17-6-11(19)7-18-13-5-10(14(16)20)3-4-12(13)15/h3-6,8-9,18H,7H2,1-2H3,(H2,16,20).
What are the key properties of 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide?
4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide has a molecular weight of 276.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 66131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).