2-(4-bromophenyl)-N-tert-butylacetamide

C12H16BrNO — CID 3273942

IUPAC2-(4-bromophenyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyPFXKHJVHHZDEMO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-bromophenyl)-N-tert-butylacetamide

2-(4-bromophenyl)-N-tert-butylacetamide (PubChem CID 3273942) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-tert-butylacetamide
PubChem CID3273942
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(4-bromophenyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyPFXKHJVHHZDEMO-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[2-(4-bromophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670695
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-(4-acetamidophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 39614047
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-tert-butyl-2-(4-heptylphenyl)acetamide
CID 161404255
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
2-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111750010
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133232735
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
CID 1370910

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-tert-butylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-tert-butylacetamide (CID 3273942) is 2-(4-bromophenyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-tert-butylacetamide is CC(C)(C)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-tert-butylacetamide?
The InChIKey is PFXKHJVHHZDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-bromophenyl)-N-tert-butylacetamide?
2-(4-bromophenyl)-N-tert-butylacetamide has a molecular weight of 270.17 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-tert-butylacetamide is sourced from PubChem (CID 3273942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).