2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide

C14H19BrN2O2 — CID 113172965

IUPAC2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-10(18)17(9-13(19)16-14(2,3)4)12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyIVGBPKDCJVDRKK-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.72
Rot. Bonds3

About 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide

2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide (PubChem CID 113172965) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
PubChem CID113172965
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-10(18)17(9-13(19)16-14(2,3)4)12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyIVGBPKDCJVDRKK-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113173010
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
2-(N-acetyl-4-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113173001
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide (CID 113172965) is 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide?
The InChIKey is IVGBPKDCJVDRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(18)17(9-13(19)16-14(2,3)4)12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide?
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113172965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).