methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate

C17H15BrN2O4 — CID 112999796

IUPACmethyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O4/c1-24-17(23)12-7-3-5-9-14(12)20-15(21)10-19-16(22)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyCNHXJNBNJXTBIA-UHFFFAOYSA-N
MW391.22 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate (PubChem CID 112999796) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
PubChem CID112999796
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Namemethyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O4/c1-24-17(23)12-7-3-5-9-14(12)20-15(21)10-19-16(22)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyCNHXJNBNJXTBIA-UHFFFAOYSA-N
XLogP2.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
methyl 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075251
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
CID 112999833
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
methyl 2-[3-(2-bromophenyl)sulfanylpropanoylamino]benzoate
CID 55752693

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate (CID 112999796) is methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is CNHXJNBNJXTBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-24-17(23)12-7-3-5-9-14(12)20-15(21)10-19-16(22)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 391.22 g/mol, XLogP of 2.60, 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-bromobenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 112999796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).