2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide

C15H22BrNO — CID 112789358

IUPAC2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11(2)4-5-12(3)17-15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFPFAUAPVKMZPRG-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide

2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 112789358) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID112789358
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-11(2)4-5-12(3)17-15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFPFAUAPVKMZPRG-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107860027
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 93341408

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide (CID 112789358) is 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is FPFAUAPVKMZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(2)4-5-12(3)17-15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide?
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 312.25 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 112789358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).