2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide

C15H20ClFN2O4 — CID 4793913

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide
SMILESCC(C)OCCCNC(=O)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O4/c1-10(2)22-7-3-6-18-15(21)19-14(20)9-23-11-4-5-13(17)12(16)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyHISBXDXEJNSANK-UHFFFAOYSA-N
MW346.79 g/mol
LogP2.50
Rot. Bonds8

About 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide (PubChem CID 4793913) has the molecular formula C15H20ClFN2O4 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide
PubChem CID4793913
Molecular FormulaC15H20ClFN2O4
Molecular Weight346.79 g/mol
Exact Mass346.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide
SMILESCC(C)OCCCNC(=O)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O4/c1-10(2)22-7-3-6-18-15(21)19-14(20)9-23-11-4-5-13(17)12(16)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyHISBXDXEJNSANK-UHFFFAOYSA-N
XLogP2.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide (CID 4793913) is 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide is CC(C)OCCCNC(=O)NC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide?
The InChIKey is HISBXDXEJNSANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O4/c1-10(2)22-7-3-6-18-15(21)19-14(20)9-23-11-4-5-13(17)12(16)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide has a molecular weight of 346.79 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(3-propan-2-yloxypropylcarbamoyl)acetamide is sourced from PubChem (CID 4793913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).