N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide

C15H13BrClNO2 — CID 114307192

IUPACN-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1cccc(CBr)c1
InChIInChI=1S/C15H13BrClNO2/c16-9-11-3-1-5-13(7-11)18-15(19)10-20-14-6-2-4-12(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyLXBRCHZHAXCLDG-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide

N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide (PubChem CID 114307192) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
PubChem CID114307192
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1cccc(CBr)c1
InChIInChI=1S/C15H13BrClNO2/c16-9-11-3-1-5-13(7-11)18-15(19)10-20-14-6-2-4-12(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyLXBRCHZHAXCLDG-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3-bromophenyl)-2-(3-chlorophenoxy)acetamide
CID 82862294
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-[3-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10053531
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7858810
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide (CID 114307192) is N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is LXBRCHZHAXCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-9-11-3-1-5-13(7-11)18-15(19)10-20-14-6-2-4-12(17)8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 354.63 g/mol, XLogP of 4.25, 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-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 114307192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).