2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide

C9H6Cl2F3NO3 — CID 54262088

IUPAC2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C9H6Cl2F3NO3/c10-3-7(16)15-6-2-4(18-9(12,13)14)1-5(11)8(6)17/h1-2,17H,3H2,(H,15,16)
InChIKeyREFNTRUIWDNWGH-UHFFFAOYSA-N
MW304.05 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide

2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide (PubChem CID 54262088) has the molecular formula C9H6Cl2F3NO3 and a molecular weight of 304.05 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
PubChem CID54262088
Molecular FormulaC9H6Cl2F3NO3
Molecular Weight304.05 g/mol
Exact Mass302.97
IUPAC Name2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C9H6Cl2F3NO3/c10-3-7(16)15-6-2-4(18-9(12,13)14)1-5(11)8(6)17/h1-2,17H,3H2,(H,15,16)
InChIKeyREFNTRUIWDNWGH-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.05
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
CID 166432051
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2419920
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide
CID 67083606
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide
CID 139405307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide (CID 54262088) is 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide is O=C(CCl)Nc1cc(OC(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is REFNTRUIWDNWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO3/c10-3-7(16)15-6-2-4(18-9(12,13)14)1-5(11)8(6)17/h1-2,17H,3H2,(H,15,16).
What are the key properties of 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 304.05 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 54262088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).