ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate

C15H18ClN3O2 — CID 66133075

IUPACethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)cc1)c1cncn1CC
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-17-9-13(19)14(15(20)21-4-2)18-12-7-5-11(16)6-8-12/h5-10,14,18H,3-4H2,1-2H3
InChIKeyMMOCAFOWEDHIGN-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.27
Rot. Bonds6

About ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate

ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate (PubChem CID 66133075) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
PubChem CID66133075
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Nameethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)cc1)c1cncn1CC
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-17-9-13(19)14(15(20)21-4-2)18-12-7-5-11(16)6-8-12/h5-10,14,18H,3-4H2,1-2H3
InChIKeyMMOCAFOWEDHIGN-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
CID 66133494
methyl 2-(3-ethylimidazol-4-yl)-2-(4-methylanilino)acetate
CID 66133284
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
methyl 2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetate
CID 66133074
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
ethyl 2-(4-chloroanilino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975071
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
ethyl 2-(4-chloroanilino)-3-oxopropanoate
CID 87962411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate (CID 66133075) is ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate is CCOC(=O)C(Nc1ccc(Cl)cc1)c1cncn1CC.
What is the InChIKey of ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate?
The InChIKey is MMOCAFOWEDHIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-10-17-9-13(19)14(15(20)21-4-2)18-12-7-5-11(16)6-8-12/h5-10,14,18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate?
ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate has a molecular weight of 307.78 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate is sourced from PubChem (CID 66133075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).