2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide

C22H17Cl4NO2 — CID 3281338

IUPAC2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl4NO2/c23-17-11-13-18(14-12-17)29-21(22(24,25)26)27-20(28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,27,28)
InChIKeyVUFBRXYYLQIVNN-UHFFFAOYSA-N
MW469.20 g/mol
LogP6.36
Rot. Bonds6

About 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide

2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide (PubChem CID 3281338) has the molecular formula C22H17Cl4NO2 and a molecular weight of 469.20 g/mol. Its IUPAC name is 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
PubChem CID3281338
Molecular FormulaC22H17Cl4NO2
Molecular Weight469.20 g/mol
Exact Mass467.00
IUPAC Name2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl4NO2/c23-17-11-13-18(14-12-17)29-21(22(24,25)26)27-20(28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,27,28)
InChIKeyVUFBRXYYLQIVNN-UHFFFAOYSA-N
XLogP6.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 12926281
1,3-bis(2,2,2-trichloro-1-phenoxyethyl)urea
CID 2834303
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 5238898
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
CID 1105213
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
CID 12926279

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide (CID 3281338) is 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide is O=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide?
The InChIKey is VUFBRXYYLQIVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl4NO2/c23-17-11-13-18(14-12-17)29-21(22(24,25)26)27-20(28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,27,28).
What are the key properties of 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide?
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide has a molecular weight of 469.20 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 3281338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).