3-[(2-bromophenyl)methoxy]-N-propylbenzamide

C17H18BrNO2 — CID 13176426

IUPAC3-[(2-bromophenyl)methoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h3-9,11H,2,10,12H2,1H3,(H,19,20)
InChIKeyQENSMHZQZMRWHA-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.17
Rot. Bonds6

About 3-[(2-bromophenyl)methoxy]-N-propylbenzamide

3-[(2-bromophenyl)methoxy]-N-propylbenzamide (PubChem CID 13176426) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-N-propylbenzamide
PubChem CID13176426
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-[(2-bromophenyl)methoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h3-9,11H,2,10,12H2,1H3,(H,19,20)
InChIKeyQENSMHZQZMRWHA-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 119581459
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate
CID 6733831

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-N-propylbenzamide?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-N-propylbenzamide (CID 13176426) is 3-[(2-bromophenyl)methoxy]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-N-propylbenzamide?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-N-propylbenzamide is CCCNC(=O)c1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-N-propylbenzamide?
The InChIKey is QENSMHZQZMRWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-2-10-19-17(20)13-7-5-8-15(11-13)21-12-14-6-3-4-9-16(14)18/h3-9,11H,2,10,12H2,1H3,(H,19,20).
What are the key properties of 3-[(2-bromophenyl)methoxy]-N-propylbenzamide?
3-[(2-bromophenyl)methoxy]-N-propylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-N-propylbenzamide is sourced from PubChem (CID 13176426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).