2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide

C13H19FN2O2 — CID 72891697

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESCN(C)C(C(=O)NCCCO)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(2)12(13(18)15-8-5-9-17)10-6-3-4-7-11(10)14/h3-4,6-7,12,17H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyAOAGJNXZQBSRRP-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.93
Rot. Bonds6

About 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide

2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 72891697) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
PubChem CID72891697
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESCN(C)C(C(=O)NCCCO)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(2)12(13(18)15-8-5-9-17)10-6-3-4-7-11(10)14/h3-4,6-7,12,17H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyAOAGJNXZQBSRRP-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide 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

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98309633
2-(dimethylamino)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 72938087

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide (CID 72891697) is 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide is CN(C)C(C(=O)NCCCO)c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is AOAGJNXZQBSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(2)12(13(18)15-8-5-9-17)10-6-3-4-7-11(10)14/h3-4,6-7,12,17H,5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 254.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 72891697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).