[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate

C19H19ClN2O5 — CID 17257762

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
SMILESCOc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-4-2-3-15(11-16)22-18(24)12-27-19(25)10-9-17(23)21-14-7-5-13(20)6-8-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyCROKRTPYFTWIFS-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.25
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate

[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate (PubChem CID 17257762) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
PubChem CID17257762
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
SMILESCOc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-4-2-3-15(11-16)22-18(24)12-27-19(25)10-9-17(23)21-14-7-5-13(20)6-8-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyCROKRTPYFTWIFS-UHFFFAOYSA-N
XLogP3.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17259148
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191781
[2-(3-methoxyanilino)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate
CID 17261857
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 42962958
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(3,4-dichloroanilino)-4-oxobutanoate
CID 17259504
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate (CID 17257762) is [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate is COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate?
The InChIKey is CROKRTPYFTWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-26-16-4-2-3-15(11-16)22-18(24)12-27-19(25)10-9-17(23)21-14-7-5-13(20)6-8-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate?
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate has a molecular weight of 390.82 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate is sourced from PubChem (CID 17257762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).