N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide

C20H20FN3O2 — CID 167484884

IUPACN-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cnco2)c1
InChIInChI=1S/C20H20FN3O2/c1-3-24(20(25)18-9-4-5-10-19(18)21)16-8-6-7-15(11-16)23(2)13-17-12-22-14-26-17/h4-12,14H,3,13H2,1-2H3
InChIKeyVNNPUQXZXKBWNG-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.12
Rot. Bonds6

About N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide

N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide (PubChem CID 167484884) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide
PubChem CID167484884
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cnco2)c1
InChIInChI=1S/C20H20FN3O2/c1-3-24(20(25)18-9-4-5-10-19(18)21)16-8-6-7-15(11-16)23(2)13-17-12-22-14-26-17/h4-12,14H,3,13H2,1-2H3
InChIKeyVNNPUQXZXKBWNG-UHFFFAOYSA-N
XLogP4.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide (CID 167484884) is N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide is CCN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cnco2)c1.
What is the InChIKey of N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide?
The InChIKey is VNNPUQXZXKBWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-24(20(25)18-9-4-5-10-19(18)21)16-8-6-7-15(11-16)23(2)13-17-12-22-14-26-17/h4-12,14H,3,13H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide?
N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide is sourced from PubChem (CID 167484884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).