[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C23H20ClNO4 — CID 7191503

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO4/c1-16-14-19(24)12-13-20(16)25-21(26)15-29-22(27)23(28,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,28H,15H2,1H3,(H,25,26)
InChIKeyNZRMVDIOUQSLLE-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.07
Rot. Bonds6

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191503) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7191503
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO4/c1-16-14-19(24)12-13-20(16)25-21(26)15-29-22(27)23(28,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,28H,15H2,1H3,(H,25,26)
InChIKeyNZRMVDIOUQSLLE-UHFFFAOYSA-N
XLogP4.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191563
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931151
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191557
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2674174
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991335
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7191503) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is Cc1cc(Cl)ccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is NZRMVDIOUQSLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-16-14-19(24)12-13-20(16)25-21(26)15-29-22(27)23(28,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,28H,15H2,1H3,(H,25,26).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 409.87 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).