2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C10H10Cl2F3N3O — CID 2773479

IUPAC2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(CCl)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3N3O/c11-4-8(19)16-1-2-17-9-7(12)3-6(5-18-9)10(13,14)15/h3,5H,1-2,4H2,(H,16,19)(H,17,18)
InChIKeyPXOKQWFQXCEYDL-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.52
Rot. Bonds5

About 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 2773479) has the molecular formula C10H10Cl2F3N3O and a molecular weight of 316.11 g/mol. Its IUPAC name is 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID2773479
Molecular FormulaC10H10Cl2F3N3O
Molecular Weight316.11 g/mol
Exact Mass315.02
IUPAC Name2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(CCl)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3N3O/c11-4-8(19)16-1-2-17-9-7(12)3-6(5-18-9)10(13,14)15/h3,5H,1-2,4H2,(H,16,19)(H,17,18)
InChIKeyPXOKQWFQXCEYDL-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 2773479) is 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(CCl)NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is PXOKQWFQXCEYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3N3O/c11-4-8(19)16-1-2-17-9-7(12)3-6(5-18-9)10(13,14)15/h3,5H,1-2,4H2,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 316.11 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 2773479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).