(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate

C16H14ClNO3 — CID 8633215

IUPAC(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-9-5-4-6-12(14)10-16(20)21-11-15(19)18-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,18,19)
InChIKeyUYDMQHYGAAVULN-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.06
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate

(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate (PubChem CID 8633215) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
PubChem CID8633215
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-9-5-4-6-12(14)10-16(20)21-11-15(19)18-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,18,19)
InChIKeyUYDMQHYGAAVULN-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
CID 8633119
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
(2-anilino-2-oxoethyl) (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798677
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate (CID 8633215) is (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate is O=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate?
The InChIKey is UYDMQHYGAAVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-9-5-4-6-12(14)10-16(20)21-11-15(19)18-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate?
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate has a molecular weight of 303.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 8633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).