methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate

C16H15BrN2O3 — CID 37472062

IUPACmethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrN2O3/c1-22-16(21)11-6-2-4-8-13(11)18-10-15(20)19-14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyANJHXECOMILMKF-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate

methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate (PubChem CID 37472062) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
PubChem CID37472062
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Namemethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrN2O3/c1-22-16(21)11-6-2-4-8-13(11)18-10-15(20)19-14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyANJHXECOMILMKF-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075251
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
methyl 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471980
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate (CID 37472062) is methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1NCC(=O)Nc1ccccc1Br.
What is the InChIKey of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is ANJHXECOMILMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-16(21)11-6-2-4-8-13(11)18-10-15(20)19-14-9-5-3-7-12(14)17/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate?
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 363.21 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 37472062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).