2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide

C10H12ClFN2O — CID 28794782

IUPAC2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-14(10(15)6-13)7-3-4-9(12)8(11)5-7/h3-5H,2,6,13H2,1H3
InChIKeyFJBXGXJTWCDXRH-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide

2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide (PubChem CID 28794782) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
PubChem CID28794782
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-14(10(15)6-13)7-3-4-9(12)8(11)5-7/h3-5H,2,6,13H2,1H3
InChIKeyFJBXGXJTWCDXRH-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
2-amino-N-(2,5-dichlorophenyl)-N-ethylacetamide
CID 28794924
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
4-amino-N-(3-chloro-4-fluorophenyl)-N,3-dimethylbutanamide
CID 115156319
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
CID 71107591
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide?
The IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide (CID 28794782) is 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide is CCN(C(=O)CN)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide?
The InChIKey is FJBXGXJTWCDXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-2-14(10(15)6-13)7-3-4-9(12)8(11)5-7/h3-5H,2,6,13H2,1H3.
What are the key properties of 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide?
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide has a molecular weight of 230.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide is sourced from PubChem (CID 28794782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).