2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide

C18H20ClFN2O2 — CID 118456142

IUPAC2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H20ClFN2O2/c1-4-22(13-7-10-15(19)16(20)11-13)17(23)18(2,3)24-14-8-5-12(21)6-9-14/h5-11H,4,21H2,1-3H3
InChIKeyUMVNDIXUCQVUKH-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide

2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide (PubChem CID 118456142) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide
PubChem CID118456142
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H20ClFN2O2/c1-4-22(13-7-10-15(19)16(20)11-13)17(23)18(2,3)24-14-8-5-12(21)6-9-14/h5-11H,4,21H2,1-3H3
InChIKeyUMVNDIXUCQVUKH-UHFFFAOYSA-N
XLogP4.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide (CID 118456142) is 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide is CCN(C(=O)C(C)(C)Oc1ccc(N)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide?
The InChIKey is UMVNDIXUCQVUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-4-22(13-7-10-15(19)16(20)11-13)17(23)18(2,3)24-14-8-5-12(21)6-9-14/h5-11H,4,21H2,1-3H3.
What are the key properties of 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide?
2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide has a molecular weight of 350.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(4-chloro-3-fluorophenyl)-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 118456142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).