[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C23H20ClNO3 — CID 4852188

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)15-22(27)28-16-21(26)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,26)
InChIKeyQKZUGALWAKAASH-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.33
Rot. Bonds7

About [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4852188) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID4852188
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)15-22(27)28-16-21(26)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,26)
InChIKeyQKZUGALWAKAASH-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579291
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
methyl (2R,3R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229352
methyl (2R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9229346
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834182
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 43026362

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 4852188) is [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is QKZUGALWAKAASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)15-22(27)28-16-21(26)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 393.87 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4852188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).