[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

C19H18Cl2N2O4 — CID 2386261

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-11-3-12(2)5-13(4-11)19(26)22-9-18(25)27-10-17(24)23-16-7-14(20)6-15(21)8-16/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQKMUZJRPKHJYPE-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.52
Rot. Bonds6

About [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2386261) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2386261
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-11-3-12(2)5-13(4-11)19(26)22-9-18(25)27-10-17(24)23-16-7-14(20)6-15(21)8-16/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyQKMUZJRPKHJYPE-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55314344
[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2116853
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(4-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 40629950
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2386261) is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is QKMUZJRPKHJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-11-3-12(2)5-13(4-11)19(26)22-9-18(25)27-10-17(24)23-16-7-14(20)6-15(21)8-16/h3-8H,9-10H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 409.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2386261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).