ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate

C20H20ClNO5 — CID 13084468

IUPACethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
SMILESCCOC(=O)CN(C(=O)C(OC(C)=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-26-18(24)13-22(17-11-9-16(21)10-12-17)20(25)19(27-14(2)23)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3
InChIKeyYODKFTAIIMEPEZ-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.54
Rot. Bonds7

About ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate

ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate (PubChem CID 13084468) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
PubChem CID13084468
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Nameethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
SMILESCCOC(=O)CN(C(=O)C(OC(C)=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-26-18(24)13-22(17-11-9-16(21)10-12-17)20(25)19(27-14(2)23)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3
InChIKeyYODKFTAIIMEPEZ-UHFFFAOYSA-N
XLogP3.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
[(E)-2-(4-chlorophenyl)sulfonyl-3-ethoxy-4,4,4-trifluoro-1-phenylbut-2-enyl] acetate
CID 101050286
ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine
CID 86635498
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
ethyl 2-(N-acetyl-4-aminoanilino)acetate
CID 18005693
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078
ethyl 2-(N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]anilino)acetate
CID 70516358
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
ethyl 3-oxobutanoate;1-phenylethyl acetate
CID 159161470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate?
The IUPAC name of ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate (CID 13084468) is ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate is CCOC(=O)CN(C(=O)C(OC(C)=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate?
The InChIKey is YODKFTAIIMEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-3-26-18(24)13-22(17-11-9-16(21)10-12-17)20(25)19(27-14(2)23)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate?
ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate has a molecular weight of 389.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate is sourced from PubChem (CID 13084468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).