2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide

C10H12ClFN2O — CID 81144665

IUPAC2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-14-9(10(13)15)6-3-4-8(12)7(11)5-6/h3-5,9,14H,2H2,1H3,(H2,13,15)
InChIKeyISWYBKRNZUUFLD-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide

2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide (PubChem CID 81144665) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide
PubChem CID81144665
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c1-2-14-9(10(13)15)6-3-4-8(12)7(11)5-6/h3-5,9,14H,2H2,1H3,(H2,13,15)
InChIKeyISWYBKRNZUUFLD-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide (CID 81144665) is 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide is CCNC(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide?
The InChIKey is ISWYBKRNZUUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-2-14-9(10(13)15)6-3-4-8(12)7(11)5-6/h3-5,9,14H,2H2,1H3,(H2,13,15).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide has a molecular weight of 230.67 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(ethylamino)acetamide is sourced from PubChem (CID 81144665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).