[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C19H19BrN2O4 — CID 2378436

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H19BrN2O4/c1-12-3-8-16(13(2)9-12)22-17(23)11-26-18(24)10-21-19(25)14-4-6-15(20)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFVWKXVMMFHBSNP-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.98
Rot. Bonds6

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 2378436) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID2378436
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H19BrN2O4/c1-12-3-8-16(13(2)9-12)22-17(23)11-26-18(24)10-21-19(25)14-4-6-15(20)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFVWKXVMMFHBSNP-UHFFFAOYSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 2378436) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is FVWKXVMMFHBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-12-3-8-16(13(2)9-12)22-17(23)11-26-18(24)10-21-19(25)14-4-6-15(20)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 419.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 2378436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).