N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide

C13H19FN2O2 — CID 113281479

IUPACN-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-2-7-16(8-3-6-15)13(18)11-9-10(14)4-5-12(11)17/h4-5,9,17H,2-3,6-8,15H2,1H3
InChIKeyHQLRUFBSNSOBFP-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.73
Rot. Bonds6

About N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide

N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide (PubChem CID 113281479) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
PubChem CID113281479
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-2-7-16(8-3-6-15)13(18)11-9-10(14)4-5-12(11)17/h4-5,9,17H,2-3,6-8,15H2,1H3
InChIKeyHQLRUFBSNSOBFP-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
CID 43288499
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide (CID 113281479) is N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide is CCCN(CCCN)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide?
The InChIKey is HQLRUFBSNSOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-7-16(8-3-6-15)13(18)11-9-10(14)4-5-12(11)17/h4-5,9,17H,2-3,6-8,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide?
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide is sourced from PubChem (CID 113281479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).