N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide

C23H21BrN2O — CID 71666506

IUPACN-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
SMILESO=C(NC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C23H21BrN2O/c24-21-14-8-7-13-20(21)23(27)25-19-15-26(16-19)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,22H,15-16H2,(H,25,27)
InChIKeyIENDMAPPXAMKFM-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.65
Rot. Bonds5

About N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide

N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide (PubChem CID 71666506) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
PubChem CID71666506
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC NameN-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
SMILESO=C(NC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1Br
InChIInChI=1S/C23H21BrN2O/c24-21-14-8-7-13-20(21)23(27)25-19-15-26(16-19)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,22H,15-16H2,(H,25,27)
InChIKeyIENDMAPPXAMKFM-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide
CID 166386840
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788

Frequently Asked Questions

What is the IUPAC name of N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide?
The IUPAC name of N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide (CID 71666506) is N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide.
What is the SMILES notation for N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide?
The canonical SMILES for N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide is O=C(NC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1Br.
What is the InChIKey of N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide?
The InChIKey is IENDMAPPXAMKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c24-21-14-8-7-13-20(21)23(27)25-19-15-26(16-19)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19,22H,15-16H2,(H,25,27).
What are the key properties of N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide?
N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide has a molecular weight of 421.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide is sourced from PubChem (CID 71666506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).