2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C16H22FNO3 — CID 79791073

IUPAC2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC2CCCO2)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-12-5-6-14(15(17)10-12)16(19)18-7-3-8-20-11-13-4-2-9-21-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,19)
InChIKeyUSYHYNZBTZFQOI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.45
Rot. Bonds7

About 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 79791073) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID79791073
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC2CCCO2)c(F)c1
InChIInChI=1S/C16H22FNO3/c1-12-5-6-14(15(17)10-12)16(19)18-7-3-8-20-11-13-4-2-9-21-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,19)
InChIKeyUSYHYNZBTZFQOI-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 79791073) is 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is Cc1ccc(C(=O)NCCCOCC2CCCO2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is USYHYNZBTZFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12-5-6-14(15(17)10-12)16(19)18-7-3-8-20-11-13-4-2-9-21-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 295.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 79791073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).