N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide

C13H17FN2O2 — CID 144950070

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-13(17)15-10-3-4-12(11(14)9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17)
InChIKeyJLTGGUQUZQOYJS-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.01
Rot. Bonds3

About N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide

N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide (PubChem CID 144950070) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
PubChem CID144950070
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-2-13(17)15-10-3-4-12(11(14)9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17)
InChIKeyJLTGGUQUZQOYJS-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 118398302
N-(3,4-difluorophenyl)propanamide
CID 4285365
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide (CID 144950070) is N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide is CCC(=O)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide?
The InChIKey is JLTGGUQUZQOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-13(17)15-10-3-4-12(11(14)9-10)16-5-7-18-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide has a molecular weight of 252.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 144950070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).