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

C13H19FN2O — CID 43199111

IUPAC4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
SMILESCCCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O/c1-3-4-9(2)16-8-11-7-10(13(15)17)5-6-12(11)14/h5-7,9,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeyRVXRPSROQYLNGO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.20
Rot. Bonds6

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

4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide (PubChem CID 43199111) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
PubChem CID43199111
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
SMILESCCCC(C)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O/c1-3-4-9(2)16-8-11-7-10(13(15)17)5-6-12(11)14/h5-7,9,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeyRVXRPSROQYLNGO-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
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3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
CID 113477255

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide (CID 43199111) is 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide is CCCC(C)NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide?
The InChIKey is RVXRPSROQYLNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-9(2)16-8-11-7-10(13(15)17)5-6-12(11)14/h5-7,9,16H,3-4,8H2,1-2H3,(H2,15,17).
What are the key properties of 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide?
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide has a molecular weight of 238.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 43199111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).