N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide

C13H19FN2O2 — CID 109015628

IUPACN-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
SMILESCOCCCNCCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-18-9-3-7-15-8-6-13(17)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3,(H,16,17)
InChIKeyKXUIZHHHWFUYGT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.78
Rot. Bonds8

About N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide

N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide (PubChem CID 109015628) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
PubChem CID109015628
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
SMILESCOCCCNCCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-18-9-3-7-15-8-6-13(17)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3,(H,16,17)
InChIKeyKXUIZHHHWFUYGT-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
4-(3-fluoroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18886225
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 109041347
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide (CID 109015628) is N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide is COCCCNCCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide?
The InChIKey is KXUIZHHHWFUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-9-3-7-15-8-6-13(17)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide?
N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide is sourced from PubChem (CID 109015628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).