N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide

C16H18FN3O — CID 16788040

IUPACN-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C16H18FN3O/c1-2-20(13-6-4-3-5-7-13)11-16(21)19-15-9-8-12(17)10-14(15)18/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyWZBLRZUPLGEAHW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.87
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide

N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide (PubChem CID 16788040) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
PubChem CID16788040
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C16H18FN3O/c1-2-20(13-6-4-3-5-7-13)11-16(21)19-15-9-8-12(17)10-14(15)18/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyWZBLRZUPLGEAHW-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919043
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
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)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
CID 63229896

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide (CID 16788040) is N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide is CCN(CC(=O)Nc1ccc(F)cc1N)c1ccccc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide?
The InChIKey is WZBLRZUPLGEAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-20(13-6-4-3-5-7-13)11-16(21)19-15-9-8-12(17)10-14(15)18/h3-10H,2,11,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide?
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide is sourced from PubChem (CID 16788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).