[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

C21H22ClNO7 — CID 42486896

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1OC
InChIInChI=1S/C21H22ClNO7/c1-4-9-29-19-15(22)10-13(11-17(19)27-2)20(25)30-12-18(24)23-16-8-6-5-7-14(16)21(26)28-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,24)
InChIKeyRWBDYVQQMUIUCP-UHFFFAOYSA-N
MW435.86 g/mol
LogP3.72
Rot. Bonds9

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (PubChem CID 42486896) has the molecular formula C21H22ClNO7 and a molecular weight of 435.86 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
PubChem CID42486896
Molecular FormulaC21H22ClNO7
Molecular Weight435.86 g/mol
Exact Mass435.11
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1OC
InChIInChI=1S/C21H22ClNO7/c1-4-9-29-19-15(22)10-13(11-17(19)27-2)20(25)30-12-18(24)23-16-8-6-5-7-14(16)21(26)28-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,24)
InChIKeyRWBDYVQQMUIUCP-UHFFFAOYSA-N
XLogP3.72
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate with MolForge

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Related Compounds

[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42402230
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253818
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359099
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253813
[2-(2-fluoroanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253841
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2-cyanoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 7363378
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
[2-(4-cyanoanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684145
[2-(2-ethoxyanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35774318
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681361
methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
CID 7893243

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (CID 42486896) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is CCCOc1c(Cl)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1OC.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The InChIKey is RWBDYVQQMUIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO7/c1-4-9-29-19-15(22)10-13(11-17(19)27-2)20(25)30-12-18(24)23-16-8-6-5-7-14(16)21(26)28-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,24).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate has a molecular weight of 435.86 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is sourced from PubChem (CID 42486896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).