N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide

C13H16F2N2O2 — CID 46630811

IUPACN-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H16F2N2O2/c1-9(17-4-6-19-7-5-17)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyLPVXWBHUTHOSRC-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.62
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide

N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 46630811) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
PubChem CID46630811
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C13H16F2N2O2/c1-9(17-4-6-19-7-5-17)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyLPVXWBHUTHOSRC-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 47068776
1-(3,4-difluorophenyl)-2-(1,4-oxazepan-4-yl)propan-1-one
CID 55153345
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide (CID 46630811) is N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1ccc(F)c(F)c1)N1CCOCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is LPVXWBHUTHOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-9(17-4-6-19-7-5-17)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide?
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 270.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 46630811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).