N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide

C12H18FN3O2 — CID 43627663

IUPACN-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
SMILESCON(C)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H18FN3O2/c1-16(18-2)7-3-4-12(17)15-11-6-5-9(13)8-10(11)14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyOGEWUDJYDQADKD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.62
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide

N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide (PubChem CID 43627663) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
PubChem CID43627663
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
SMILESCON(C)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H18FN3O2/c1-16(18-2)7-3-4-12(17)15-11-6-5-9(13)8-10(11)14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyOGEWUDJYDQADKD-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide (CID 43627663) is N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide is CON(C)CCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide?
The InChIKey is OGEWUDJYDQADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-16(18-2)7-3-4-12(17)15-11-6-5-9(13)8-10(11)14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide?
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide has a molecular weight of 255.29 g/mol, XLogP of 1.62, 6 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-[methoxy(methyl)amino]butanamide is sourced from PubChem (CID 43627663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).