N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide

C14H18FN3O3 — CID 79468585

IUPACN-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
SMILESNc1cc(F)ccc1NC(=O)CCCN1CCOCC1=O
InChIInChI=1S/C14H18FN3O3/c15-10-3-4-12(11(16)8-10)17-13(19)2-1-5-18-6-7-21-9-14(18)20/h3-4,8H,1-2,5-7,9,16H2,(H,17,19)
InChIKeyYVTPRYMQULEZGQ-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.99
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide

N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide (PubChem CID 79468585) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
PubChem CID79468585
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
SMILESNc1cc(F)ccc1NC(=O)CCCN1CCOCC1=O
InChIInChI=1S/C14H18FN3O3/c15-10-3-4-12(11(16)8-10)17-13(19)2-1-5-18-6-7-21-9-14(18)20/h3-4,8H,1-2,5-7,9,16H2,(H,17,19)
InChIKeyYVTPRYMQULEZGQ-UHFFFAOYSA-N
XLogP0.99
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 63215697
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate
CID 58772712
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
CID 45255722
N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
CID 18071064

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide (CID 79468585) is N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide is Nc1cc(F)ccc1NC(=O)CCCN1CCOCC1=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide?
The InChIKey is YVTPRYMQULEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-10-3-4-12(11(16)8-10)17-13(19)2-1-5-18-6-7-21-9-14(18)20/h3-4,8H,1-2,5-7,9,16H2,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide has a molecular weight of 295.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide is sourced from PubChem (CID 79468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).