N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide

C14H22FN3O — CID 18069901

IUPACN-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H22FN3O/c1-4-5-8-18(3)10(2)14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyRUOWSPRWPGPCDS-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide

N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide (PubChem CID 18069901) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
PubChem CID18069901
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H22FN3O/c1-4-5-8-18(3)10(2)14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyRUOWSPRWPGPCDS-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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CID 16778555
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N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
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CID 43615880
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
CID 43294459
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
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CID 82954224

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide (CID 18069901) is N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide is CCCCN(C)C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide?
The InChIKey is RUOWSPRWPGPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-5-8-18(3)10(2)14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide has a molecular weight of 267.35 g/mol, XLogP of 2.47, 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-[butyl(methyl)amino]propanamide is sourced from PubChem (CID 18069901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).