[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C17H17BrN2O5 — CID 7883962

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C17H17BrN2O5/c1-10-4-3-5-12(11(10)2)20-15(21)9-24-16(22)8-19-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyZOSGTPDPJFWGSL-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.57
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7883962) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7883962
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C17H17BrN2O5/c1-10-4-3-5-12(11(10)2)20-15(21)9-24-16(22)8-19-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyZOSGTPDPJFWGSL-UHFFFAOYSA-N
XLogP2.57
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate with MolForge

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2082274
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773370
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 27238678
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2530916

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7883962) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is Cc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is ZOSGTPDPJFWGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-10-4-3-5-12(11(10)2)20-15(21)9-24-16(22)8-19-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 409.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7883962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).