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

C14H22FN3O — CID 18071143

IUPACN-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyISBWFGIJFVRCEX-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds7

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

N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide (PubChem CID 18071143) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
PubChem CID18071143
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyISBWFGIJFVRCEX-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.47
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-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
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-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide (CID 18071143) is N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide is CCCCN(C)CCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide?
The InChIKey is ISBWFGIJFVRCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide?
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide has a molecular weight of 267.35 g/mol, XLogP of 2.47, 7 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)-3-[butyl(methyl)amino]propanamide is sourced from PubChem (CID 18071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).