2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide

C18H20BrNO2 — CID 112762956

IUPAC2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)15-10-6-8-12-17(15)22-13-14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3
InChIKeyDQSVSKAQVVKIGN-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.51
Rot. Bonds6

About 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide

2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide (PubChem CID 112762956) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
PubChem CID112762956
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)15-10-6-8-12-17(15)22-13-14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3
InChIKeyDQSVSKAQVVKIGN-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553751
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
CID 7935492
2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
CID 55574442
2-[(2-hydroxyphenyl)methoxy]-N-[2-[(2-hydroxyphenyl)methoxy]benzoyl]benzohydrazide
CID 175522204
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide (CID 112762956) is 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide?
The InChIKey is DQSVSKAQVVKIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)15-10-6-8-12-17(15)22-13-14-9-5-7-11-16(14)19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide?
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide is sourced from PubChem (CID 112762956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).