2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide

C10H8Cl2F4N2O — CID 103579817

IUPAC2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cc(Cl)c(F)c(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C10H8Cl2F4N2O/c11-6-1-5(2-7(12)9(6)13)17-3-8(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19)
InChIKeyNWHKPEMTTHZOSD-UHFFFAOYSA-N
MW319.09 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103579817) has the molecular formula C10H8Cl2F4N2O and a molecular weight of 319.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103579817
Molecular FormulaC10H8Cl2F4N2O
Molecular Weight319.09 g/mol
Exact Mass317.99
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cc(Cl)c(F)c(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C10H8Cl2F4N2O/c11-6-1-5(2-7(12)9(6)13)17-3-8(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19)
InChIKeyNWHKPEMTTHZOSD-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.09
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
N-(2-chlorophenyl)-2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573991
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
2-(thiophen-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 66353029
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 103579817) is 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1cc(Cl)c(F)c(Cl)c1)NCC(F)(F)F.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NWHKPEMTTHZOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F4N2O/c11-6-1-5(2-7(12)9(6)13)17-3-8(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19).
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 319.09 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103579817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).