N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide

C14H22FN3O2 — CID 62983727

IUPACN-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H22FN3O2/c1-18(7-3-9-20-2)8-6-14(19)17-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyGPHGBXXEAWXNPY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.70
Rot. Bonds8

About N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide

N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide (PubChem CID 62983727) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
PubChem CID62983727
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H22FN3O2/c1-18(7-3-9-20-2)8-6-14(19)17-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyGPHGBXXEAWXNPY-UHFFFAOYSA-N
XLogP1.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide (CID 62983727) is N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide is COCCCN(C)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide?
The InChIKey is GPHGBXXEAWXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-18(7-3-9-20-2)8-6-14(19)17-13-5-4-11(15)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide?
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide has a molecular weight of 283.35 g/mol, XLogP of 1.70, 8 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)-3-[3-methoxypropyl(methyl)amino]propanamide is sourced from PubChem (CID 62983727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).