2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide

C11H15ClFN3O — CID 66079546

IUPAC2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H15ClFN3O/c1-3-16(6-11(17)15-2)10-5-8(13)7(12)4-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyBFGRUIMHALHUJG-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide

2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide (PubChem CID 66079546) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
PubChem CID66079546
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H15ClFN3O/c1-3-16(6-11(17)15-2)10-5-8(13)7(12)4-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyBFGRUIMHALHUJG-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.63
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

2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
CID 66100295
2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
4-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 114845016
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808590
2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
CID 114844095
1-N-butan-2-yl-4-chloro-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 66078180
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
CID 66077466

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide (CID 66079546) is 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide is CCN(CC(=O)NC)c1cc(F)c(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide?
The InChIKey is BFGRUIMHALHUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-3-16(6-11(17)15-2)10-5-8(13)7(12)4-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide?
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide has a molecular weight of 259.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide is sourced from PubChem (CID 66079546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).