2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide

C14H17Cl4N3O — CID 1254461

IUPAC2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C14H17Cl4N3O/c1-2-20-6-8-21(9-7-20)12-10(15)4-3-5-11(12)19-13(22)14(16,17)18/h3-5H,2,6-9H2,1H3,(H,19,22)
InChIKeyRFHOVBRNDDLXRB-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.79
Rot. Bonds3

About 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide

2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1254461) has the molecular formula C14H17Cl4N3O and a molecular weight of 385.12 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID1254461
Molecular FormulaC14H17Cl4N3O
Molecular Weight385.12 g/mol
Exact Mass383.01
IUPAC Name2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C14H17Cl4N3O/c1-2-20-6-8-21(9-7-20)12-10(15)4-3-5-11(12)19-13(22)14(16,17)18/h3-5H,2,6-9H2,1H3,(H,19,22)
InChIKeyRFHOVBRNDDLXRB-UHFFFAOYSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 1254461) is 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2c(Cl)cccc2NC(=O)C(Cl)(Cl)Cl)CC1.
What is the InChIKey of 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is RFHOVBRNDDLXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl4N3O/c1-2-20-6-8-21(9-7-20)12-10(15)4-3-5-11(12)19-13(22)14(16,17)18/h3-5H,2,6-9H2,1H3,(H,19,22).
What are the key properties of 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 385.12 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1254461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).