2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide

C20H15BrFNO2 — CID 16547793

IUPAC2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C20H15BrFNO2/c21-15-5-3-4-14(12-15)13-25-19-7-2-1-6-18(19)20(24)23-17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24)
InChIKeyHWQAPESRBSDIDE-UHFFFAOYSA-N
MW400.25 g/mol
LogP5.42
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide

2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide (PubChem CID 16547793) has the molecular formula C20H15BrFNO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
PubChem CID16547793
Molecular FormulaC20H15BrFNO2
Molecular Weight400.25 g/mol
Exact Mass399.03
IUPAC Name2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C20H15BrFNO2/c21-15-5-3-4-14(12-15)13-25-19-7-2-1-6-18(19)20(24)23-17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24)
InChIKeyHWQAPESRBSDIDE-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.25
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide (CID 16547793) is 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide?
The InChIKey is HWQAPESRBSDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO2/c21-15-5-3-4-14(12-15)13-25-19-7-2-1-6-18(19)20(24)23-17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide?
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide has a molecular weight of 400.25 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 16547793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).