2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide

C11H15ClFN3O — CID 114088970

IUPAC2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C11H15ClFN3O/c1-3-15-11(17)6-16(2)10-4-7(12)8(13)5-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyNKDYEZPLRLAIDC-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide

2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide (PubChem CID 114088970) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
PubChem CID114088970
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C11H15ClFN3O/c1-3-15-11(17)6-16(2)10-4-7(12)8(13)5-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyNKDYEZPLRLAIDC-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-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
2-(2-carbamothioyl-5-chloro-N-methylanilino)-N-ethylacetamide
CID 63092484
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide (CID 114088970) is 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide is CCNC(=O)CN(C)c1cc(Cl)c(F)cc1N.
What is the InChIKey of 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide?
The InChIKey is NKDYEZPLRLAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-3-15-11(17)6-16(2)10-4-7(12)8(13)5-9(10)14/h4-5H,3,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide?
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide 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-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 114088970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).