N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide

C10H9ClF3NO — CID 142740808

IUPACN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(16)15-5-7-2-3-9(11)8(4-7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyASXBMURNKJINLI-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.99
Rot. Bonds2

About N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 142740808) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID142740808
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(16)15-5-7-2-3-9(11)8(4-7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyASXBMURNKJINLI-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550324
(R)-3-chloro-N-[1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutanecarboxamide
CID 23550325
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
2-chloro-N-[(2-chlorophenyl)methyl]acetamide
CID 144398
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
N-[(4-chlorophenyl)methyl]pentanamide
CID 2169936
N-(4-Chloro-benzyl)-2-cyano-acetamide
CID 690673
N-((4-Chlorophenyl)methyl)acetamide
CID 42116

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide (CID 142740808) is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ASXBMURNKJINLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6(16)15-5-7-2-3-9(11)8(4-7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 251.63 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 142740808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).