2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide

C11H13Br2NO — CID 114310589

IUPAC2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
SMILESCC(CBr)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13Br2NO/c1-8(7-12)14-11(15)6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyWREKNRBUUWBCGQ-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.89
Rot. Bonds4

About 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide

2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide (PubChem CID 114310589) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
PubChem CID114310589
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
SMILESCC(CBr)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13Br2NO/c1-8(7-12)14-11(15)6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyWREKNRBUUWBCGQ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107860027
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 55717037
1-[[2-(4-bromophenyl)acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478675
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide (CID 114310589) is 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide is CC(CBr)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide?
The InChIKey is WREKNRBUUWBCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-8(7-12)14-11(15)6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide?
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide has a molecular weight of 335.04 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide is sourced from PubChem (CID 114310589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).