N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide

C13H18FN3O2 — CID 110483733

IUPACN-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1N)N1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyIUJIYWUHRNNPNB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.07
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide

N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 110483733) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
PubChem CID110483733
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(F)ccc1N)N1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyIUJIYWUHRNNPNB-UHFFFAOYSA-N
XLogP1.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.07
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-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-(2,5-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984158
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(2-amino-4-fluorophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66084653
N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500673
(2R)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 6551381
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide (CID 110483733) is N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1cc(F)ccc1N)N1CCOCC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is IUJIYWUHRNNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide?
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 110483733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).