N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide

C11H13ClFNO2 — CID 15515085

IUPACN-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-7(2)14(11(16)6-15)10-4-3-8(13)5-9(10)12/h3-5,7,15H,6H2,1-2H3
InChIKeyJUQOZLBULWMPFT-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.21
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide

N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide (PubChem CID 15515085) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide
PubChem CID15515085
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-7(2)14(11(16)6-15)10-4-3-8(13)5-9(10)12/h3-5,7,15H,6H2,1-2H3
InChIKeyJUQOZLBULWMPFT-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide (CID 15515085) is N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide is CC(C)N(C(=O)CO)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The InChIKey is JUQOZLBULWMPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(2)14(11(16)6-15)10-4-3-8(13)5-9(10)12/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide has a molecular weight of 245.68 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide is sourced from PubChem (CID 15515085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).