2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide

C21H17BrFNO2 — CID 7935492

IUPAC2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C21H17BrFNO2/c22-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)21(25)24-13-15-9-11-17(23)12-10-15/h1-12H,13-14H2,(H,24,25)
InChIKeyLAKNWFBLPPCPGF-UHFFFAOYSA-N
MW414.27 g/mol
LogP5.10
Rot. Bonds6

About 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide

2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 7935492) has the molecular formula C21H17BrFNO2 and a molecular weight of 414.27 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID7935492
Molecular FormulaC21H17BrFNO2
Molecular Weight414.27 g/mol
Exact Mass413.04
IUPAC Name2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C21H17BrFNO2/c22-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)21(25)24-13-15-9-11-17(23)12-10-15/h1-12H,13-14H2,(H,24,25)
InChIKeyLAKNWFBLPPCPGF-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
CID 55797280
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide (CID 7935492) is 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is LAKNWFBLPPCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFNO2/c22-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)21(25)24-13-15-9-11-17(23)12-10-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide?
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 414.27 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 7935492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).