2-acetamido-4-bromo-N-methyl-N-phenylbenzamide

C16H15BrN2O2 — CID 141352408

IUPAC2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
SMILESCC(=O)Nc1cc(Br)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)18-15-10-12(17)8-9-14(15)16(21)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyXDQATURPPWWIHD-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.68
Rot. Bonds3

About 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide

2-acetamido-4-bromo-N-methyl-N-phenylbenzamide (PubChem CID 141352408) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
PubChem CID141352408
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
SMILESCC(=O)Nc1cc(Br)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)18-15-10-12(17)8-9-14(15)16(21)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyXDQATURPPWWIHD-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 170782729
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CID 24710295
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
4-[methyl(phenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 4915032
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide?
The IUPAC name of 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide (CID 141352408) is 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide is CC(=O)Nc1cc(Br)ccc1C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide?
The InChIKey is XDQATURPPWWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11(20)18-15-10-12(17)8-9-14(15)16(21)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide?
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide has a molecular weight of 347.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-bromo-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 141352408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).