2-bromo-N-phenylacetamide;cyclopropane

C11H14BrNO — CID 174384645

IUPAC2-bromo-N-phenylacetamide;cyclopropane
SMILESC1CC1.O=C(CBr)Nc1ccccc1
InChIInChI=1S/C8H8BrNO.C3H6/c9-6-8(11)10-7-4-2-1-3-5-7;1-2-3-1/h1-5H,6H2,(H,10,11);1-3H2
InChIKeyQDOYZFLUIUKZHN-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.19
Rot. Bonds2

About 2-bromo-N-phenylacetamide;cyclopropane

2-bromo-N-phenylacetamide;cyclopropane (PubChem CID 174384645) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-N-phenylacetamide;cyclopropane.

Molecular Properties

Compound Name2-bromo-N-phenylacetamide;cyclopropane
PubChem CID174384645
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-N-phenylacetamide;cyclopropane
SMILESC1CC1.O=C(CBr)Nc1ccccc1
InChIInChI=1S/C8H8BrNO.C3H6/c9-6-8(11)10-7-4-2-1-3-5-7;1-2-3-1/h1-5H,6H2,(H,10,11);1-3H2
InChIKeyQDOYZFLUIUKZHN-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
ethane;methane;N-phenylpropanamide
CID 159778408
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide
CID 156661876
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
N-phenyl-2-(piperidin-1-ylamino)acetamide
CID 83014503

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-phenylacetamide;cyclopropane?
The IUPAC name of 2-bromo-N-phenylacetamide;cyclopropane (CID 174384645) is 2-bromo-N-phenylacetamide;cyclopropane.
What is the SMILES notation for 2-bromo-N-phenylacetamide;cyclopropane?
The canonical SMILES for 2-bromo-N-phenylacetamide;cyclopropane is C1CC1.O=C(CBr)Nc1ccccc1.
What is the InChIKey of 2-bromo-N-phenylacetamide;cyclopropane?
The InChIKey is QDOYZFLUIUKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.C3H6/c9-6-8(11)10-7-4-2-1-3-5-7;1-2-3-1/h1-5H,6H2,(H,10,11);1-3H2.
What are the key properties of 2-bromo-N-phenylacetamide;cyclopropane?
2-bromo-N-phenylacetamide;cyclopropane has a molecular weight of 256.14 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-phenylacetamide;cyclopropane is sourced from PubChem (CID 174384645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).