2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide

C11H13BrCl2N2O2 — CID 62474980

IUPAC2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2/c1-18-3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeySFLNCLQZICSJSF-UHFFFAOYSA-N
MW356.05 g/mol
LogP3.06
Rot. Bonds5

About 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide

2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide (PubChem CID 62474980) has the molecular formula C11H13BrCl2N2O2 and a molecular weight of 356.05 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
PubChem CID62474980
Molecular FormulaC11H13BrCl2N2O2
Molecular Weight356.05 g/mol
Exact Mass353.95
IUPAC Name2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O2/c1-18-3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeySFLNCLQZICSJSF-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
5-[(2-amino-4-methoxybutanoyl)amino]benzene-1,3-dicarboxylic acid
CID 62475221
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide (CID 62474980) is 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide?
The InChIKey is SFLNCLQZICSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2/c1-18-3-2-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide?
2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide has a molecular weight of 356.05 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 62474980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).