2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide

C15H19F3N2O2 — CID 110445750

IUPAC2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(F)c(F)c1F)CN1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-10(9-20-4-6-22-7-5-20)8-19-15(21)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-9H2,1H3,(H,19,21)
InChIKeyNOFMUGQPSFEXBC-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.80
Rot. Bonds5

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

2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (PubChem CID 110445750) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
PubChem CID110445750
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(F)c(F)c1F)CN1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-10(9-20-4-6-22-7-5-20)8-19-15(21)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-9H2,1H3,(H,19,21)
InChIKeyNOFMUGQPSFEXBC-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
4-methoxy-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]-2-propan-2-yloxybenzamide
CID 124738801
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 79760388
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359917
3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
5-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 110484319
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113073702

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (CID 110445750) is 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is CC(CNC(=O)c1ccc(F)c(F)c1F)CN1CCOCC1.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The InChIKey is NOFMUGQPSFEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(9-20-4-6-22-7-5-20)8-19-15(21)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-9H2,1H3,(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 110445750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).