3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide

C11H14BrClN2O — CID 104723467

IUPAC3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
SMILESCc1cc(Br)c(NCC(C)C(N)=O)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-6-3-8(12)10(4-9(6)13)15-5-7(2)11(14)16/h3-4,7,15H,5H2,1-2H3,(H2,14,16)
InChIKeyMXPGWVHUKSWLPZ-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.94
Rot. Bonds4

About 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide

3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide (PubChem CID 104723467) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
PubChem CID104723467
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
SMILESCc1cc(Br)c(NCC(C)C(N)=O)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-6-3-8(12)10(4-9(6)13)15-5-7(2)11(14)16/h3-4,7,15H,5H2,1-2H3,(H2,14,16)
InChIKeyMXPGWVHUKSWLPZ-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
2-(2-bromo-5-chloro-4-methylanilino)-N-tert-butylacetamide
CID 113445483
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide (CID 104723467) is 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide is Cc1cc(Br)c(NCC(C)C(N)=O)cc1Cl.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide?
The InChIKey is MXPGWVHUKSWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-6-3-8(12)10(4-9(6)13)15-5-7(2)11(14)16/h3-4,7,15H,5H2,1-2H3,(H2,14,16).
What are the key properties of 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide?
3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide has a molecular weight of 305.60 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide is sourced from PubChem (CID 104723467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).