4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide

C15H21FN2O2 — CID 115745095

IUPAC4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-12-11-13(16)3-4-14(12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyKEXRYSROIFFBIS-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.59
Rot. Bonds5

About 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide

4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 115745095) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID115745095
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-12-11-13(16)3-4-14(12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyKEXRYSROIFFBIS-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.59
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

4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 99638302
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 115745095) is 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(F)ccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is KEXRYSROIFFBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-12-11-13(16)3-4-14(12)15(19)17-5-2-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 280.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 115745095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).