N-(2-bromo-5-propan-2-ylphenyl)acetamide

C11H14BrNO — CID 117060423

IUPACN-(2-bromo-5-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)C)ccc1Br
InChIInChI=1S/C11H14BrNO/c1-7(2)9-4-5-10(12)11(6-9)13-8(3)14/h4-7H,1-3H3,(H,13,14)
InChIKeyBVEVQMPUVDAIEX-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.53
Rot. Bonds2

About N-(2-bromo-5-propan-2-ylphenyl)acetamide

N-(2-bromo-5-propan-2-ylphenyl)acetamide (PubChem CID 117060423) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(2-bromo-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-propan-2-ylphenyl)acetamide
PubChem CID117060423
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(2-bromo-5-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)C)ccc1Br
InChIInChI=1S/C11H14BrNO/c1-7(2)9-4-5-10(12)11(6-9)13-8(3)14/h4-7H,1-3H3,(H,13,14)
InChIKeyBVEVQMPUVDAIEX-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
CID 58917000
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
CID 84641744
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
1-(2-bromo-5-propan-2-ylphenyl)-2-chloroethanone
CID 83988532
(2S)-2-(2-bromo-4-propan-2-ylphenoxy)propanoic acid
CID 42207548
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(2-bromo-5-propan-2-ylphenyl)acetamide (CID 117060423) is N-(2-bromo-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-5-propan-2-ylphenyl)acetamide is CC(=O)Nc1cc(C(C)C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-propan-2-ylphenyl)acetamide?
The InChIKey is BVEVQMPUVDAIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7(2)9-4-5-10(12)11(6-9)13-8(3)14/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(2-bromo-5-propan-2-ylphenyl)acetamide?
N-(2-bromo-5-propan-2-ylphenyl)acetamide has a molecular weight of 256.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 117060423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).