N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide

C17H18BrNO2 — CID 65016573

IUPACN-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(CBr)c2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-13(20)19-16-8-5-9-17(10-16)21-12-15(11-18)14-6-3-2-4-7-14/h2-10,15H,11-12H2,1H3,(H,19,20)
InChIKeyBLLQWKTWDVCRLL-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.20
Rot. Bonds6

About N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide

N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide (PubChem CID 65016573) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
PubChem CID65016573
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(CBr)c2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-13(20)19-16-8-5-9-17(10-16)21-12-15(11-18)14-6-3-2-4-7-14/h2-10,15H,11-12H2,1H3,(H,19,20)
InChIKeyBLLQWKTWDVCRLL-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.20
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-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
CID 64758724
1-(3-bromo-2-phenylpropoxy)-3-iodobenzene
CID 65015847
1-[4-(3-bromo-2-phenylpropoxy)-2-fluorophenyl]ethanone
CID 107715571
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
methyl 4-(3-bromo-2-phenylpropoxy)benzoate
CID 65016525
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide?
The IUPAC name of N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide (CID 65016573) is N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCC(CBr)c2ccccc2)c1.
What is the InChIKey of N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide?
The InChIKey is BLLQWKTWDVCRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13(20)19-16-8-5-9-17(10-16)21-12-15(11-18)14-6-3-2-4-7-14/h2-10,15H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide?
N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 65016573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).