2-(2-amino-5-fluoroanilino)-N-ethylacetamide

C10H14FN3O — CID 62377991

IUPAC2-(2-amino-5-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(F)ccc1N
InChIInChI=1S/C10H14FN3O/c1-2-13-10(15)6-14-9-5-7(11)3-4-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15)
InChIKeyHHWHYOCXMOPVFU-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-amino-5-fluoroanilino)-N-ethylacetamide

2-(2-amino-5-fluoroanilino)-N-ethylacetamide (PubChem CID 62377991) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-amino-5-fluoroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluoroanilino)-N-ethylacetamide
PubChem CID62377991
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(2-amino-5-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(F)ccc1N
InChIInChI=1S/C10H14FN3O/c1-2-13-10(15)6-14-9-5-7(11)3-4-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15)
InChIKeyHHWHYOCXMOPVFU-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
2-(3-amino-2-methylanilino)-N-ethylacetamide
CID 63077987
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
tert-butyl N-[2-(2-amino-5-fluoroanilino)ethyl]carbamate
CID 114518011
2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
CID 63734081
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-fluoroanilino)-N-ethylacetamide (CID 62377991) is 2-(2-amino-5-fluoroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluoroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-fluoroanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluoroanilino)-N-ethylacetamide?
The InChIKey is HHWHYOCXMOPVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-13-10(15)6-14-9-5-7(11)3-4-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-amino-5-fluoroanilino)-N-ethylacetamide?
2-(2-amino-5-fluoroanilino)-N-ethylacetamide has a molecular weight of 211.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoroanilino)-N-ethylacetamide is sourced from PubChem (CID 62377991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).