N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

C11H16FN3O2 — CID 54879385

IUPACN-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O2/c1-15(4-5-16)7-11(17)14-10-3-2-8(12)6-9(10)13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyQYLNRNIXULZQMR-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.27
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 54879385) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID54879385
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O2/c1-15(4-5-16)7-11(17)14-10-3-2-8(12)6-9(10)13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyQYLNRNIXULZQMR-UHFFFAOYSA-N
XLogP0.27
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269222
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270870

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 54879385) is N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is QYLNRNIXULZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-15(4-5-16)7-11(17)14-10-3-2-8(12)6-9(10)13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 241.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 54879385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).