3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide

C20H21FN2O4 — CID 78881332

IUPAC3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H21FN2O4/c1-12-17(21)9-14(19(22)24)10-18(12)23-20(25)13-4-2-5-15(8-13)27-11-16-6-3-7-26-16/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVBPKPUDGCPGLPI-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.04
Rot. Bonds6

About 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide

3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide (PubChem CID 78881332) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
PubChem CID78881332
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H21FN2O4/c1-12-17(21)9-14(19(22)24)10-18(12)23-20(25)13-4-2-5-15(8-13)27-11-16-6-3-7-26-16/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H2,22,24)(H,23,25)
InChIKeyVBPKPUDGCPGLPI-UHFFFAOYSA-N
XLogP3.04
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119618105
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196569
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide (CID 78881332) is 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The InChIKey is VBPKPUDGCPGLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-12-17(21)9-14(19(22)24)10-18(12)23-20(25)13-4-2-5-15(8-13)27-11-16-6-3-7-26-16/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide has a molecular weight of 372.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 78881332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).