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

C16H16BrNO2 — CID 114307304

IUPACN-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(CBr)c2)c1
InChIInChI=1S/C16H16BrNO2/c1-20-15-7-3-4-12(9-15)10-16(19)18-14-6-2-5-13(8-14)11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySURGYXCYVSRAKW-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.77
Rot. Bonds5

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

N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 114307304) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID114307304
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(CBr)c2)c1
InChIInChI=1S/C16H16BrNO2/c1-20-15-7-3-4-12(9-15)10-16(19)18-14-6-2-5-13(8-14)11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySURGYXCYVSRAKW-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.77
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

2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 15896225

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide (CID 114307304) is N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cccc(CBr)c2)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is SURGYXCYVSRAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-15-7-3-4-12(9-15)10-16(19)18-14-6-2-5-13(8-14)11-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide?
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 334.21 g/mol, XLogP of 3.77, 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-methoxyphenyl)acetamide is sourced from PubChem (CID 114307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).