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

C15H12Cl3NO2 — CID 884766

IUPAC2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H12Cl3NO2/c16-15(17,18)14(20)19-12-6-8-13(9-7-12)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyIGKPCNQTSKQQDL-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.57
Rot. Bonds4

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

2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 884766) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID884766
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H12Cl3NO2/c16-15(17,18)14(20)19-12-6-8-13(9-7-12)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyIGKPCNQTSKQQDL-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.57
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-phenoxyphenyl)acetamide
CID 4117087
(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 133246665
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide (CID 884766) is 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide is O=C(Nc1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is IGKPCNQTSKQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c16-15(17,18)14(20)19-12-6-8-13(9-7-12)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20).
What are the key properties of 2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide?
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 344.63 g/mol, XLogP of 4.57, 4 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-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 884766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).