N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide

C12H15BrClNO2 — CID 107143639

IUPACN-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyMGKMCCRTNKNZAK-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.86
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide

N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide (PubChem CID 107143639) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
PubChem CID107143639
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyMGKMCCRTNKNZAK-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103825492
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
CID 103824740
2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
(E)-3-[5-[(3-methoxy-3-methylbutanoyl)amino]-2-methylphenyl]prop-2-enoic acid
CID 103022386
2-[(4-bromo-3-chlorophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107615349
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide (CID 107143639) is N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is MGKMCCRTNKNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide?
N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 320.61 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 107143639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).