2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide

C20H14ClF2NO — CID 3347125

IUPAC2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(F)cc1F)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClF2NO/c21-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)19(25)24-18-12-11-16(22)13-17(18)23/h1-13H,(H,24,25)
InChIKeyZGJIHALAEQWIGO-UHFFFAOYSA-N
MW357.79 g/mol
LogP5.09
Rot. Bonds4

About 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide

2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide (PubChem CID 3347125) has the molecular formula C20H14ClF2NO and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide
PubChem CID3347125
Molecular FormulaC20H14ClF2NO
Molecular Weight357.79 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(F)cc1F)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClF2NO/c21-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)19(25)24-18-12-11-16(22)13-17(18)23/h1-13H,(H,24,25)
InChIKeyZGJIHALAEQWIGO-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide?
The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide (CID 3347125) is 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide?
The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide is O=C(Nc1ccc(F)cc1F)C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide?
The InChIKey is ZGJIHALAEQWIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO/c21-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)19(25)24-18-12-11-16(22)13-17(18)23/h1-13H,(H,24,25).
What are the key properties of 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide?
2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide has a molecular weight of 357.79 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 3347125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).