2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide

C13H18BrClN2O — CID 113445483

IUPAC2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
SMILESCc1cc(Br)c(NCC(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-8-5-9(14)11(6-10(8)15)16-7-12(18)17-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyRDSOUAPMZUZKBF-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide

2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide (PubChem CID 113445483) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
PubChem CID113445483
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
SMILESCc1cc(Br)c(NCC(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-8-5-9(14)11(6-10(8)15)16-7-12(18)17-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyRDSOUAPMZUZKBF-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
CID 106438063
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
CID 104723467
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
2-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide (CID 113445483) is 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide is Cc1cc(Br)c(NCC(=O)NC(C)(C)C)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide?
The InChIKey is RDSOUAPMZUZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-8-5-9(14)11(6-10(8)15)16-7-12(18)17-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide?
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide has a molecular weight of 333.66 g/mol, XLogP of 3.74, 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-chloro-4-methylanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113445483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).