3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide

C11H14FN3O2 — CID 43437028

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)6-14-11(17)7-3-4-8(12)9(13)5-7/h3-5H,6,13H2,1-2H3,(H,14,17)
InChIKeyLGNCRWRPNQUNBB-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 43437028) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID43437028
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)6-14-11(17)7-3-4-8(12)9(13)5-7/h3-5H,6,13H2,1-2H3,(H,14,17)
InChIKeyLGNCRWRPNQUNBB-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide 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

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
CID 115739741
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-amino-4-fluoro-N-pent-3-ynylbenzamide
CID 116642578
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide (CID 43437028) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide is CN(C)C(=O)CNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is LGNCRWRPNQUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(2)10(16)6-14-11(17)7-3-4-8(12)9(13)5-7/h3-5H,6,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 239.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 43437028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).