4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide

C14H17FN2O3 — CID 150087091

IUPAC4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide
SMILESO=C(CCCNc1ccc(F)cc1)NC1CCOC1=O
InChIInChI=1S/C14H17FN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyDSLLUAJKVPSIAE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.45
Rot. Bonds6

About 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide

4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide (PubChem CID 150087091) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide
PubChem CID150087091
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide
SMILESO=C(CCCNc1ccc(F)cc1)NC1CCOC1=O
InChIInChI=1S/C14H17FN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyDSLLUAJKVPSIAE-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(phenylamino)propanoate
CID 296040
Ethyl 2-(4-fluoroanilino)acetate
CID 711751
methyl N-[(2-fluorophenyl)carbamoyl]-L-alaninate
CID 663602
methyl (2S)-2-[(2-fluorophenyl)carbamoylamino]-3-methylbutanoate
CID 663712
3-[2-[3-(3,4-Difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24792117
[2-(4-fluoroanilino)-2-oxoethyl] N-[(3S)-2-oxooxolan-3-yl]carbamodithioate
CID 118732995
N-(3-fluorophenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 2916846
ethyl N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]glycinate
CID 3872339
Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with morpholine (1:1)
CID 60578
Ethyl 2-[(4-fluorophenyl)amino]propanoate
CID 13532087
Methyl 2-[(4-fluorophenyl)amino]propanoate
CID 18913672
N'-(4-fluorophenyl)-N-(2-methoxyethyl)oxamide
CID 2250982

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The IUPAC name of 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide (CID 150087091) is 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide is O=C(CCCNc1ccc(F)cc1)NC1CCOC1=O.
What is the InChIKey of 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The InChIKey is DSLLUAJKVPSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18).
What are the key properties of 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide?
4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide has a molecular weight of 280.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-(2-oxooxolan-3-yl)butanamide is sourced from PubChem (CID 150087091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).