2-(N-acetyl-3-bromoanilino)-N-benzylacetamide

C17H17BrN2O2 — CID 113177894

IUPAC2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-13(21)20(16-9-5-8-15(18)10-16)12-17(22)19-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZYRVPTBPAUZWLE-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.12
Rot. Bonds5

About 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide

2-(N-acetyl-3-bromoanilino)-N-benzylacetamide (PubChem CID 113177894) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
PubChem CID113177894
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-13(21)20(16-9-5-8-15(18)10-16)12-17(22)19-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZYRVPTBPAUZWLE-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176223
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
N-(3-bromophenyl)-N-propylacetamide
CID 67272874

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide?
The IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide (CID 113177894) is 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide?
The canonical SMILES for 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide is CC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide?
The InChIKey is ZYRVPTBPAUZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-13(21)20(16-9-5-8-15(18)10-16)12-17(22)19-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide?
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide has a molecular weight of 361.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-bromoanilino)-N-benzylacetamide is sourced from PubChem (CID 113177894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).