N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide

C13H16BrNO2 — CID 80678119

IUPACN-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N(CCBr)C1CC1
InChIInChI=1S/C13H16BrNO2/c14-6-7-15(11-4-5-11)13(17)9-10-2-1-3-12(16)8-10/h1-3,8,11,16H,4-7,9H2
InChIKeyPEYZFOSRTUXRLJ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.32
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide

N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide (PubChem CID 80678119) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
PubChem CID80678119
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)N(CCBr)C1CC1
InChIInChI=1S/C13H16BrNO2/c14-6-7-15(11-4-5-11)13(17)9-10-2-1-3-12(16)8-10/h1-3,8,11,16H,4-7,9H2
InChIKeyPEYZFOSRTUXRLJ-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.32
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-(3-aminopropyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 61399131
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 71968977
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide (CID 80678119) is N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide?
The InChIKey is PEYZFOSRTUXRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-6-7-15(11-4-5-11)13(17)9-10-2-1-3-12(16)8-10/h1-3,8,11,16H,4-7,9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide?
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide has a molecular weight of 298.18 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 80678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).