N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide

C11H14BrNO2 — CID 114307296

IUPACN-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(CBr)c1
InChIInChI=1S/C11H14BrNO2/c1-2-15-8-11(14)13-10-5-3-4-9(6-10)7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyIRMMOYCIMJFMIG-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.56
Rot. Bonds5

About N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide

N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide (PubChem CID 114307296) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
PubChem CID114307296
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(CBr)c1
InChIInChI=1S/C11H14BrNO2/c1-2-15-8-11(14)13-10-5-3-4-9(6-10)7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyIRMMOYCIMJFMIG-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.56
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-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
N-[3-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10053531
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114307192
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide (CID 114307296) is N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide?
The InChIKey is IRMMOYCIMJFMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-15-8-11(14)13-10-5-3-4-9(6-10)7-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide?
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide has a molecular weight of 272.14 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 114307296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).