N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide

C16H26FN3O — CID 43295364

IUPACN-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(C)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H26FN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-13-7-8-14(17)15(18)10-13/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyLYKWDPJBQUPMND-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.10
Rot. Bonds8

About N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide

N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide (PubChem CID 43295364) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
PubChem CID43295364
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(C)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H26FN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-13-7-8-14(17)15(18)10-13/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyLYKWDPJBQUPMND-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.10
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-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-4-(3-methylbutan-2-ylsulfanyl)butanamide
CID 107748717
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide (CID 43295364) is N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide is CCC(C)CN(C)CCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
The InChIKey is LYKWDPJBQUPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-12(2)11-20(3)9-5-6-16(21)19-13-7-8-14(17)15(18)10-13/h7-8,10,12H,4-6,9,11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide?
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide has a molecular weight of 295.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide is sourced from PubChem (CID 43295364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).