N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide

C17H15BrFNO2 — CID 167939993

IUPACN-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(C2CCOC2)c1
InChIInChI=1S/C17H15BrFNO2/c18-15-5-4-14(9-16(15)19)20-17(21)12-3-1-2-11(8-12)13-6-7-22-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21)
InChIKeyFTYBYEWBJVEGKZ-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.34
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide

N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide (PubChem CID 167939993) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
PubChem CID167939993
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(C2CCOC2)c1
InChIInChI=1S/C17H15BrFNO2/c18-15-5-4-14(9-16(15)19)20-17(21)12-3-1-2-11(8-12)13-6-7-22-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21)
InChIKeyFTYBYEWBJVEGKZ-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
CID 125136007
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
CID 124729838
2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 129470093
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide
CID 158181785
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
CID 139004733
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide (CID 167939993) is N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide is O=C(Nc1ccc(Br)c(F)c1)c1cccc(C2CCOC2)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide?
The InChIKey is FTYBYEWBJVEGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c18-15-5-4-14(9-16(15)19)20-17(21)12-3-1-2-11(8-12)13-6-7-22-10-13/h1-5,8-9,13H,6-7,10H2,(H,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide?
N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide is sourced from PubChem (CID 167939993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).