ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate

C18H18ClNO3 — CID 14856955

IUPACethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)13-20(16-10-8-15(19)9-11-16)17(21)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyCIWKZOIHNYZDMB-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.48
Rot. Bonds6

About ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate

ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate (PubChem CID 14856955) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
PubChem CID14856955
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Nameethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)13-20(16-10-8-15(19)9-11-16)17(21)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyCIWKZOIHNYZDMB-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
CID 13084468
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 2-phenylacetate
CID 7590
ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine
CID 86635498
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
N-(4-chlorophenyl)-N-[(3-methylquinoxalin-2-yl)methyl]-2-phenylacetamide
CID 20787643
ethyl 2-[4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloro-N-(2-phenylacetyl)anilino]acetate
CID 46853054
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate?
The IUPAC name of ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate (CID 14856955) is ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate?
The canonical SMILES for ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate is CCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate?
The InChIKey is CIWKZOIHNYZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-2-23-18(22)13-20(16-10-8-15(19)9-11-16)17(21)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate?
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate has a molecular weight of 331.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate is sourced from PubChem (CID 14856955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).