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

C15H20F2N2O2 — CID 110445678

IUPAC3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(F)c(F)c1)CN1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyDSKAIENMDASMHX-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.66
Rot. Bonds5

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

3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (PubChem CID 110445678) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
PubChem CID110445678
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(F)c(F)c1)CN1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyDSKAIENMDASMHX-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445750
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (CID 110445678) is 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is CC(CNC(=O)c1ccc(F)c(F)c1)CN1CCOCC1.
What is the InChIKey of 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DSKAIENMDASMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide has a molecular weight of 298.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 110445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).