5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide

C19H22FNO3 — CID 55897554

IUPAC5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CCCOc1ccccc1C
InChIInChI=1S/C19H22FNO3/c1-14-7-4-5-8-17(14)24-12-6-11-21(2)19(22)16-13-15(20)9-10-18(16)23-3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyVSLMXMGHPLRTLT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.68
Rot. Bonds7

About 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide

5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide (PubChem CID 55897554) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
PubChem CID55897554
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CCCOc1ccccc1C
InChIInChI=1S/C19H22FNO3/c1-14-7-4-5-8-17(14)24-12-6-11-21(2)19(22)16-13-15(20)9-10-18(16)23-3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyVSLMXMGHPLRTLT-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 112817404
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
N,2,5-trimethyl-N-[3-(2-methylphenoxy)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55956171
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55897553
N-[3-[2-[(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)methyl]phenoxy]propyl]-2-methoxy-N-methylbenzamide
CID 22276252
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 154861473

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide (CID 55897554) is 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide is COc1ccc(F)cc1C(=O)N(C)CCCOc1ccccc1C.
What is the InChIKey of 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide?
The InChIKey is VSLMXMGHPLRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-14-7-4-5-8-17(14)24-12-6-11-21(2)19(22)16-13-15(20)9-10-18(16)23-3/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide?
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide has a molecular weight of 331.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 55897554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).