N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

C19H20FNO3 — CID 4877901

IUPACN-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H20FNO3/c1-13-4-7-15(20)11-18(13)21-19(22)14-5-8-16(9-6-14)24-12-17-3-2-10-23-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,21,22)
InChIKeyKQSUVFXRXOLTFO-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.94
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 4877901) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID4877901
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H20FNO3/c1-13-4-7-15(20)11-18(13)21-19(22)14-5-8-16(9-6-14)24-12-17-3-2-10-23-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,21,22)
InChIKeyKQSUVFXRXOLTFO-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 4877901) is N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(F)cc1NC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is KQSUVFXRXOLTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-4-7-15(20)11-18(13)21-19(22)14-5-8-16(9-6-14)24-12-17-3-2-10-23-17/h4-9,11,17H,2-3,10,12H2,1H3,(H,21,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 329.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 4877901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).