N-(5-amino-2-fluorophenyl)-2-butoxypropanamide

C13H19FN2O2 — CID 43267510

IUPACN-(5-amino-2-fluorophenyl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-4-7-18-9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyDPBCCNANRAVMBC-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.55
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-butoxypropanamide

N-(5-amino-2-fluorophenyl)-2-butoxypropanamide (PubChem CID 43267510) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-butoxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-butoxypropanamide
PubChem CID43267510
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(5-amino-2-fluorophenyl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-4-7-18-9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyDPBCCNANRAVMBC-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954224
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-butoxypropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-butoxypropanamide (CID 43267510) is N-(5-amino-2-fluorophenyl)-2-butoxypropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-butoxypropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-butoxypropanamide is CCCCOC(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-butoxypropanamide?
The InChIKey is DPBCCNANRAVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-4-7-18-9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-butoxypropanamide?
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide has a molecular weight of 254.30 g/mol, XLogP of 2.55, 6 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)-2-butoxypropanamide is sourced from PubChem (CID 43267510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).