2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide

C17H14BrClFNO2 — CID 42931000

IUPAC2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(Oc1ccc(Cl)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H14BrClFNO2/c18-14-9-11(19)3-8-15(14)23-16(17(22)21-13-6-7-13)10-1-4-12(20)5-2-10/h1-5,8-9,13,16H,6-7H2,(H,21,22)
InChIKeyWHTODDQOIXTFJY-UHFFFAOYSA-N
MW398.66 g/mol
LogP4.64
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 42931000) has the molecular formula C17H14BrClFNO2 and a molecular weight of 398.66 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID42931000
Molecular FormulaC17H14BrClFNO2
Molecular Weight398.66 g/mol
Exact Mass396.99
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(Oc1ccc(Cl)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H14BrClFNO2/c18-14-9-11(19)3-8-15(14)23-16(17(22)21-13-6-7-13)10-1-4-12(20)5-2-10/h1-5,8-9,13,16H,6-7H2,(H,21,22)
InChIKeyWHTODDQOIXTFJY-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.66
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 42931000) is 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide is O=C(NC1CC1)C(Oc1ccc(Cl)cc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is WHTODDQOIXTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClFNO2/c18-14-9-11(19)3-8-15(14)23-16(17(22)21-13-6-7-13)10-1-4-12(20)5-2-10/h1-5,8-9,13,16H,6-7H2,(H,21,22).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 398.66 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42931000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).