N-(3-chloro-4-fluorophenyl)acetamide

C8H7ClFNO — CID 589188

IUPACN-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12)
InChIKeyALPHMTFVUKDBGJ-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.44
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)acetamide

N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 589188) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)acetamide
PubChem CID589188
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC NameN-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12)
InChIKeyALPHMTFVUKDBGJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)acetamide (CID 589188) is N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is ALPHMTFVUKDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12).
What are the key properties of N-(3-chloro-4-fluorophenyl)acetamide?
N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 187.60 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 589188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).