4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide

C14H19FN2O2 — CID 114629521

IUPAC4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
SMILESCC1(C)C(O)CC1NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-14(2)11(6-12(14)18)17-7-9-5-8(13(16)19)3-4-10(9)15/h3-5,11-12,17-18H,6-7H2,1-2H3,(H2,16,19)
InChIKeyPTIQRMGTNLAZNF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.17
Rot. Bonds4

About 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide

4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide (PubChem CID 114629521) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
PubChem CID114629521
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
SMILESCC1(C)C(O)CC1NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-14(2)11(6-12(14)18)17-7-9-5-8(13(16)19)3-4-10(9)15/h3-5,11-12,17-18H,6-7H2,1-2H3,(H2,16,19)
InChIKeyPTIQRMGTNLAZNF-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629968
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
CID 43610147
3-[[(2,2-dimethylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107453074
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(2-chloro-6-fluorophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115976632
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
4-fluoro-3-[[(3-methylcyclobutyl)amino]methyl]benzoic acid
CID 107453364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide (CID 114629521) is 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide is CC1(C)C(O)CC1NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide?
The InChIKey is PTIQRMGTNLAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2)11(6-12(14)18)17-7-9-5-8(13(16)19)3-4-10(9)15/h3-5,11-12,17-18H,6-7H2,1-2H3,(H2,16,19).
What are the key properties of 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide?
4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide is sourced from PubChem (CID 114629521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).