N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide

C16H15BrN2O3 — CID 46736695

IUPACN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
SMILESO=C(CBr)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15BrN2O3/c17-10-15(20)18-12-5-4-6-13(9-12)19-16(21)11-22-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyPPMAMDSSAOTEBO-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.04
Rot. Bonds6

About N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide

N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 46736695) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
PubChem CID46736695
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
SMILESO=C(CBr)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15BrN2O3/c17-10-15(20)18-12-5-4-6-13(9-12)19-16(21)11-22-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyPPMAMDSSAOTEBO-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide (CID 46736695) is N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide is O=C(CBr)Nc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is PPMAMDSSAOTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-10-15(20)18-12-5-4-6-13(9-12)19-16(21)11-22-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide?
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide has a molecular weight of 363.21 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 46736695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).