N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide

C19H24FN3O — CID 113220993

IUPACN-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1
InChIInChI=1S/C19H24FN3O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-18-12-16(21)8-9-17(18)20/h3-9,12,14H,10-11,13,21H2,1-2H3,(H,22,24)
InChIKeyVPUYQYHIEOCZKL-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.65
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide (PubChem CID 113220993) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
PubChem CID113220993
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1
InChIInChI=1S/C19H24FN3O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-18-12-16(21)8-9-17(18)20/h3-9,12,14H,10-11,13,21H2,1-2H3,(H,22,24)
InChIKeyVPUYQYHIEOCZKL-UHFFFAOYSA-N
XLogP3.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.65
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

3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide (CID 113220993) is N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide is CC(C)N(CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The InChIKey is VPUYQYHIEOCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14(2)23(13-15-6-4-3-5-7-15)11-10-19(24)22-18-12-16(21)8-9-17(18)20/h3-9,12,14H,10-11,13,21H2,1-2H3,(H,22,24).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide has a molecular weight of 329.42 g/mol, XLogP of 3.65, 7 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-[benzyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 113220993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).