2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide

C12H16BrClN2O — CID 81281028

IUPAC2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-12(2,3)16-11(17)7-15-10-6-8(14)4-5-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyOEQOONBDJMGISD-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide

2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide (PubChem CID 81281028) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
PubChem CID81281028
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O/c1-12(2,3)16-11(17)7-15-10-6-8(14)4-5-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyOEQOONBDJMGISD-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
2-(2-bromo-5-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81281124
methyl 3-(2-bromo-5-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644795
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 113231069
2-(2-bromo-5-chloroanilino)-N'-hydroxyethanimidamide
CID 81271015
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide (CID 81281028) is 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide?
The InChIKey is OEQOONBDJMGISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-12(2,3)16-11(17)7-15-10-6-8(14)4-5-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide?
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide has a molecular weight of 319.63 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide is sourced from PubChem (CID 81281028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).