N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide

C12H15BrClNO — CID 151119014

IUPACN-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-7(16)15-11-5-8(12(2,3)4)10(14)6-9(11)13/h5-6H,1-4H3,(H,15,16)
InChIKeyMRUCHHRISLIFRQ-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.36
Rot. Bonds1

About N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide

N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide (PubChem CID 151119014) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
PubChem CID151119014
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO/c1-7(16)15-11-5-8(12(2,3)4)10(14)6-9(11)13/h5-6H,1-4H3,(H,15,16)
InChIKeyMRUCHHRISLIFRQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
(2-acetamido-5-bromo-4-tert-butylphenyl) acetate
CID 156745612
N-(4-tert-butyl-2,3-dichlorophenyl)acetamide
CID 23531002
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
N-(5-amino-2,4-dibromophenyl)acetamide
CID 14144188
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide
CID 58695048
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide (CID 151119014) is N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide is CC(=O)Nc1cc(C(C)(C)C)c(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide?
The InChIKey is MRUCHHRISLIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-7(16)15-11-5-8(12(2,3)4)10(14)6-9(11)13/h5-6H,1-4H3,(H,15,16).
What are the key properties of N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide?
N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide has a molecular weight of 304.62 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide is sourced from PubChem (CID 151119014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).