N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide

C9H7ClF3NO — CID 2736671

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyQRMZQPODCUCPQD-UHFFFAOYSA-N
MW237.61 g/mol
LogP3.32
Rot. Bonds1

About N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide

N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2736671) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID2736671
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyQRMZQPODCUCPQD-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide (CID 2736671) is N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QRMZQPODCUCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 237.61 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2736671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).