ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate

C20H21Cl2NO6 — CID 68556648

IUPACethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate
SMILESCCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C20H21Cl2NO6/c1-4-27-18(24)12-23(20(25)28-5-2)13-10-16(21)19(17(22)11-13)29-15-8-6-14(26-3)7-9-15/h6-11H,4-5,12H2,1-3H3
InChIKeyLNRUKVVKTSOCPP-UHFFFAOYSA-N
MW442.30 g/mol
LogP5.32
Rot. Bonds8

About ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate

ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate (PubChem CID 68556648) has the molecular formula C20H21Cl2NO6 and a molecular weight of 442.30 g/mol. Its IUPAC name is ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate
PubChem CID68556648
Molecular FormulaC20H21Cl2NO6
Molecular Weight442.30 g/mol
Exact Mass441.07
IUPAC Nameethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate
SMILESCCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C20H21Cl2NO6/c1-4-27-18(24)12-23(20(25)28-5-2)13-10-16(21)19(17(22)11-13)29-15-8-6-14(26-3)7-9-15/h6-11H,4-5,12H2,1-3H3
InChIKeyLNRUKVVKTSOCPP-UHFFFAOYSA-N
XLogP5.32
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate
CID 24953177
ethyl 2-[4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloro-N-(2-phenylacetyl)anilino]acetate
CID 46853054
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
ethyl 2-[N-benzoyl-3,5-dichloro-4-[3-(diethylsulfamoyl)-4-methoxyphenoxy]anilino]acetate
CID 46852586
ethyl 2-[N-[3,5-bis(trifluoromethyl)benzoyl]-3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)anilino]acetate
CID 91049612
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
ethyl 2-[N-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methyl]anilino]acetate
CID 70294559
ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
CID 20871823
2-[3,5-dibromo-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]-N-ethoxycarbonylanilino]acetic acid
CID 24956031
ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
CID 61021199
ethyl 4-(2-chloro-4-methoxyphenyl)but-3-ynoate
CID 170471109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate?
The IUPAC name of ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate (CID 68556648) is ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate.
What is the SMILES notation for ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate?
The canonical SMILES for ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate is CCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)cc2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate?
The InChIKey is LNRUKVVKTSOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO6/c1-4-27-18(24)12-23(20(25)28-5-2)13-10-16(21)19(17(22)11-13)29-15-8-6-14(26-3)7-9-15/h6-11H,4-5,12H2,1-3H3.
What are the key properties of ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate?
ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate has a molecular weight of 442.30 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-dichloro-N-ethoxycarbonyl-4-(4-methoxyphenoxy)anilino]acetate is sourced from PubChem (CID 68556648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).