4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide

C13H19FN2O2 — CID 106131097

IUPAC4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
SMILESCC(O)CCCNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(17)3-2-6-16-8-11-7-10(13(15)18)4-5-12(11)14/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyIGFQDXSIRBKVNL-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.18
Rot. Bonds7

About 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide

4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide (PubChem CID 106131097) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
PubChem CID106131097
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
SMILESCC(O)CCCNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(17)3-2-6-16-8-11-7-10(13(15)18)4-5-12(11)14/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyIGFQDXSIRBKVNL-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[(4-hydroxypentylamino)methyl]benzoic acid
CID 114148481
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
4-fluoro-3-[[3-(methanesulfonamido)propylamino]methyl]benzamide
CID 106336500
4-fluoro-3-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113487487
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 106309827
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide (CID 106131097) is 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide is CC(O)CCCNCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide?
The InChIKey is IGFQDXSIRBKVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(17)3-2-6-16-8-11-7-10(13(15)18)4-5-12(11)14/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H2,15,18).
What are the key properties of 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide?
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide is sourced from PubChem (CID 106131097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).