2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide

C14H10Cl3NO2 — CID 4117087

IUPAC2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H10Cl3NO2/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyLIJSTUJJRGWWPU-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.79
Rot. Bonds3

About 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide

2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide (PubChem CID 4117087) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
PubChem CID4117087
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H10Cl3NO2/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyLIJSTUJJRGWWPU-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-phenoxyphenyl)nonanamide
CID 4250486
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
phenoxybenzene;N-phenylacetamide
CID 174350344
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide (CID 4117087) is 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide?
The InChIKey is LIJSTUJJRGWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9H,(H,18,19).
What are the key properties of 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide?
2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide has a molecular weight of 330.60 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 4117087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).