N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide

C12H14BrNO2 — CID 95380737

IUPACN-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
SMILESCC[C@@H](Br)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H14BrNO2/c1-3-11(13)12(16)9-4-6-10(7-5-9)14-8(2)15/h4-7,11H,3H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyKVUIKXCSRNPPMJ-LLVKDONJSA-N
MW284.15 g/mol
LogP3.00
Rot. Bonds4

About N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide

N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide (PubChem CID 95380737) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
PubChem CID95380737
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
SMILESCC[C@@H](Br)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H14BrNO2/c1-3-11(13)12(16)9-4-6-10(7-5-9)14-8(2)15/h4-7,11H,3H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyKVUIKXCSRNPPMJ-LLVKDONJSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
2-bromo-1-(4-methylsulfanylphenyl)butan-1-one
CID 54032357
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
CID 13458401
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide (CID 95380737) is N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide is CC[C@@H](Br)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide?
The InChIKey is KVUIKXCSRNPPMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-3-11(13)12(16)9-4-6-10(7-5-9)14-8(2)15/h4-7,11H,3H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide?
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide has a molecular weight of 284.15 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide is sourced from PubChem (CID 95380737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).