2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C14H15Cl2F3N2O2 — CID 2103995

IUPAC2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCl
InChIInChI=1S/C14H15Cl2F3N2O2/c1-8(2)21(13(23)6-15)7-12(22)20-11-4-3-9(16)5-10(11)14(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,20,22)
InChIKeyNCFQQSCEJZFFBI-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.77
Rot. Bonds5

About 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2103995) has the molecular formula C14H15Cl2F3N2O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID2103995
Molecular FormulaC14H15Cl2F3N2O2
Molecular Weight371.19 g/mol
Exact Mass370.05
IUPAC Name2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCl
InChIInChI=1S/C14H15Cl2F3N2O2/c1-8(2)21(13(23)6-15)7-12(22)20-11-4-3-9(16)5-10(11)14(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,20,22)
InChIKeyNCFQQSCEJZFFBI-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 2103995) is 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NCFQQSCEJZFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2O2/c1-8(2)21(13(23)6-15)7-12(22)20-11-4-3-9(16)5-10(11)14(17,18)19/h3-5,8H,6-7H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.19 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2103995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).