2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide

C20H23BrN2O2 — CID 55857067

IUPAC2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2OCc2ccccc2Br)CC1
InChIInChI=1S/C20H23BrN2O2/c1-23-12-10-16(11-13-23)22-20(24)17-7-3-5-9-19(17)25-14-15-6-2-4-8-18(15)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyYCTHZQHMBCAXOU-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.85
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide

2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 55857067) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID55857067
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2OCc2ccccc2Br)CC1
InChIInChI=1S/C20H23BrN2O2/c1-23-12-10-16(11-13-23)22-20(24)17-7-3-5-9-19(17)25-14-15-6-2-4-8-18(15)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyYCTHZQHMBCAXOU-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171661881
N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453556
2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 112763208
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
CID 7935492
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide (CID 55857067) is 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccccc2OCc2ccccc2Br)CC1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is YCTHZQHMBCAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-23-12-10-16(11-13-23)22-20(24)17-7-3-5-9-19(17)25-14-15-6-2-4-8-18(15)21/h2-9,16H,10-14H2,1H3,(H,22,24).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide?
2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 403.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55857067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).