N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

C19H19BrFNO3 — CID 55907648

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCc1cc(F)cc(Br)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19BrFNO3/c20-15-8-13(9-16(21)10-15)11-22-19(23)14-3-5-17(6-4-14)25-12-18-2-1-7-24-18/h3-6,8-10,18H,1-2,7,11-12H2,(H,22,23)
InChIKeyOKGSPNNPSMMTAV-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.08
Rot. Bonds6

About N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55907648) has the molecular formula C19H19BrFNO3 and a molecular weight of 408.27 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55907648
Molecular FormulaC19H19BrFNO3
Molecular Weight408.27 g/mol
Exact Mass407.05
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCc1cc(F)cc(Br)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19BrFNO3/c20-15-8-13(9-16(21)10-15)11-22-19(23)14-3-5-17(6-4-14)25-12-18-2-1-7-24-18/h3-6,8-10,18H,1-2,7,11-12H2,(H,22,23)
InChIKeyOKGSPNNPSMMTAV-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55907000
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
CID 81331452
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55907648) is N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is O=C(NCc1cc(F)cc(Br)c1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is OKGSPNNPSMMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO3/c20-15-8-13(9-16(21)10-15)11-22-19(23)14-3-5-17(6-4-14)25-12-18-2-1-7-24-18/h3-6,8-10,18H,1-2,7,11-12H2,(H,22,23).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 408.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55907648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).