N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide

C12H18FN3O — CID 43262986

IUPACN-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(2)7-6-12(17)15-11-8-9(14)4-5-10(11)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyPIURUZKIMQYQKB-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.69
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide (PubChem CID 43262986) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
PubChem CID43262986
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(2)7-6-12(17)15-11-8-9(14)4-5-10(11)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyPIURUZKIMQYQKB-UHFFFAOYSA-N
XLogP1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide (CID 43262986) is N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide is CCN(C)CCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide?
The InChIKey is PIURUZKIMQYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-16(2)7-6-12(17)15-11-8-9(14)4-5-10(11)13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide has a molecular weight of 239.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 43262986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).