3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide

C18H18BrNO3 — CID 55864621

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
SMILESCOc1ccc(Br)cc1COc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18BrNO3/c1-22-17-8-5-14(19)9-13(17)11-23-16-4-2-3-12(10-16)18(21)20-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21)
InChIKeyHLNIZSBQKLKNNQ-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.93
Rot. Bonds6

About 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide

3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide (PubChem CID 55864621) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
PubChem CID55864621
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
SMILESCOc1ccc(Br)cc1COc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18BrNO3/c1-22-17-8-5-14(19)9-13(17)11-23-16-4-2-3-12(10-16)18(21)20-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21)
InChIKeyHLNIZSBQKLKNNQ-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
N-cyclopropyl-3-methoxybenzamide
CID 900156
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide (CID 55864621) is 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide is COc1ccc(Br)cc1COc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide?
The InChIKey is HLNIZSBQKLKNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-22-17-8-5-14(19)9-13(17)11-23-16-4-2-3-12(10-16)18(21)20-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide?
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide has a molecular weight of 376.25 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 55864621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).