4-fluoro-3-[(propan-2-ylamino)methyl]benzamide

C11H15FN2O — CID 24694362

IUPAC4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
SMILESCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C11H15FN2O/c1-7(2)14-6-9-5-8(11(13)15)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyKLLGOOUXHKUZRS-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.42
Rot. Bonds4

About 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide (PubChem CID 24694362) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
PubChem CID24694362
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
SMILESCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C11H15FN2O/c1-7(2)14-6-9-5-8(11(13)15)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyKLLGOOUXHKUZRS-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
4-fluoro-3-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]benzoic acid
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4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide (CID 24694362) is 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide is CC(C)NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide?
The InChIKey is KLLGOOUXHKUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7(2)14-6-9-5-8(11(13)15)3-4-10(9)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide?
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide has a molecular weight of 210.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(propan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 24694362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).