[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C19H18BrClN2O6 — CID 36533829

IUPAC[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H18BrClN2O6/c1-27-15-8-14(16(28-2)7-13(15)21)23-17(24)10-29-18(25)9-22-19(26)11-3-5-12(20)6-4-11/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyVRFDCVZTPULDSW-UHFFFAOYSA-N
MW485.72 g/mol
LogP3.03
Rot. Bonds8

About [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 36533829) has the molecular formula C19H18BrClN2O6 and a molecular weight of 485.72 g/mol. Its IUPAC name is [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID36533829
Molecular FormulaC19H18BrClN2O6
Molecular Weight485.72 g/mol
Exact Mass484.00
IUPAC Name[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H18BrClN2O6/c1-27-15-8-14(16(28-2)7-13(15)21)23-17(24)10-29-18(25)9-22-19(26)11-3-5-12(20)6-4-11/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyVRFDCVZTPULDSW-UHFFFAOYSA-N
XLogP3.03
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789730
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29154774
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2377984
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643288
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 41161591
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 2367160
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 42089866

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 36533829) is [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(OC)cc1Cl.
What is the InChIKey of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is VRFDCVZTPULDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O6/c1-27-15-8-14(16(28-2)7-13(15)21)23-17(24)10-29-18(25)9-22-19(26)11-3-5-12(20)6-4-11/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 485.72 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 36533829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).