N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

C17H24FN3O3 — CID 108960434

IUPACN-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O3/c1-17(2,16(23)20-14-6-4-3-5-13(14)18)15(22)19-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNSMUWAHRUZJTAK-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.24
Rot. Bonds6

About N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108960434) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108960434
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H24FN3O3/c1-17(2,16(23)20-14-6-4-3-5-13(14)18)15(22)19-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNSMUWAHRUZJTAK-UHFFFAOYSA-N
XLogP1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (CID 108960434) is N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is NSMUWAHRUZJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-17(2,16(23)20-14-6-4-3-5-13(14)18)15(22)19-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 337.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108960434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).