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

C11H15FN2O2 — CID 43499997

IUPAC4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNCCCO)c1
InChIInChI=1S/C11H15FN2O2/c12-10-3-2-8(11(13)16)6-9(10)7-14-4-1-5-15/h2-3,6,14-15H,1,4-5,7H2,(H2,13,16)
InChIKeyGMWADCDJTXTWCB-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.40
Rot. Bonds6

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

4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide (PubChem CID 43499997) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
PubChem CID43499997
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNCCCO)c1
InChIInChI=1S/C11H15FN2O2/c12-10-3-2-8(11(13)16)6-9(10)7-14-4-1-5-15/h2-3,6,14-15H,1,4-5,7H2,(H2,13,16)
InChIKeyGMWADCDJTXTWCB-UHFFFAOYSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.40
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-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 106309827
4-fluoro-3-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113487487
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-fluoro-3-[[3-(methanesulfonamido)propylamino]methyl]benzamide
CID 106336500
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-fluoro-4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]benzamide
CID 106310179
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
CID 106401656

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide (CID 43499997) is 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide is NC(=O)c1ccc(F)c(CNCCCO)c1.
What is the InChIKey of 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide?
The InChIKey is GMWADCDJTXTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-10-3-2-8(11(13)16)6-9(10)7-14-4-1-5-15/h2-3,6,14-15H,1,4-5,7H2,(H2,13,16).
What are the key properties of 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide?
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide has a molecular weight of 226.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide is sourced from PubChem (CID 43499997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).