2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide

C17H18BrNO2 — CID 51187408

IUPAC2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C17H18BrNO2/c1-3-16(12-8-10-13(21-2)11-9-12)19-17(20)14-6-4-5-7-15(14)18/h4-11,16H,3H2,1-2H3,(H,19,20)
InChIKeyPQNGJXZHQQMVFI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.34
Rot. Bonds5

About 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide

2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 51187408) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID51187408
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C17H18BrNO2/c1-3-16(12-8-10-13(21-2)11-9-12)19-17(20)14-6-4-5-7-15(14)18/h4-11,16H,3H2,1-2H3,(H,19,20)
InChIKeyPQNGJXZHQQMVFI-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
CID 132652302
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-nitrobenzamide
CID 43886215
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 51187408) is 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide is CCC(NC(=O)c1ccccc1Br)c1ccc(OC)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is PQNGJXZHQQMVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-16(12-8-10-13(21-2)11-9-12)19-17(20)14-6-4-5-7-15(14)18/h4-11,16H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide?
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 51187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).