[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate

C17H15BrN2O4 — CID 2625531

IUPAC[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C17H15BrN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)(H,20,21)
InChIKeyNRGOMWGRPHEFIU-UHFFFAOYSA-N
MW391.22 g/mol
LogP2.36
Rot. Bonds6

About [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate

[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625531) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625531
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C17H15BrN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)(H,20,21)
InChIKeyNRGOMWGRPHEFIU-UHFFFAOYSA-N
XLogP2.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate
CID 7889644
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
[2-(2-bromoanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197888
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31145082
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
ethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 16533021
[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523975

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate (CID 2625531) is [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is NRGOMWGRPHEFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)(H,20,21).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate?
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 391.22 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).