2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide

C23H21BrN2O2 — CID 25161792

IUPAC2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21BrN2O2/c1-26(16-22(27)25-21-14-8-7-13-20(21)24)23(28)19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyFUWOGXBJWYITRL-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.75
Rot. Bonds6

About 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide

2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 25161792) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID25161792
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21BrN2O2/c1-26(16-22(27)25-21-14-8-7-13-20(21)24)23(28)19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyFUWOGXBJWYITRL-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide (CID 25161792) is 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is FUWOGXBJWYITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-26(16-22(27)25-21-14-8-7-13-20(21)24)23(28)19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide?
2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 25161792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).