[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C19H19ClN2O6 — CID 8788729

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H19ClN2O6/c1-26-14-6-3-12(4-7-14)19(25)21-10-18(24)28-11-17(23)22-15-9-13(20)5-8-16(15)27-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFHPNUQSOBUDZDO-UHFFFAOYSA-N
MW406.82 g/mol
LogP2.27
Rot. Bonds8

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8788729) has the molecular formula C19H19ClN2O6 and a molecular weight of 406.82 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8788729
Molecular FormulaC19H19ClN2O6
Molecular Weight406.82 g/mol
Exact Mass406.09
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H19ClN2O6/c1-26-14-6-3-12(4-7-14)19(25)21-10-18(24)28-11-17(23)22-15-9-13(20)5-8-16(15)27-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFHPNUQSOBUDZDO-UHFFFAOYSA-N
XLogP2.27
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854403
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884053
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 36533829
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882697
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133179
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 8788729) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is FHPNUQSOBUDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O6/c1-26-14-6-3-12(4-7-14)19(25)21-10-18(24)28-11-17(23)22-15-9-13(20)5-8-16(15)27-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 406.82 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8788729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).