2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide

C15H21FN2O2 — CID 111457011

IUPAC2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-13-5-1-2-6-14(13)17-15(20)11-18(12-7-8-12)9-3-4-10-19/h1-2,5-6,12,19H,3-4,7-11H2,(H,17,20)
InChIKeyGGEAYYUGTWHSSE-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.00
Rot. Bonds8

About 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide

2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 111457011) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID111457011
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-13-5-1-2-6-14(13)17-15(20)11-18(12-7-8-12)9-3-4-10-19/h1-2,5-6,12,19H,3-4,7-11H2,(H,17,20)
InChIKeyGGEAYYUGTWHSSE-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 111457031
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 43319569
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111432003
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 60509869

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide (CID 111457011) is 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide is O=C(CN(CCCCO)C1CC1)Nc1ccccc1F.
What is the InChIKey of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is GGEAYYUGTWHSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-5-1-2-6-14(13)17-15(20)11-18(12-7-8-12)9-3-4-10-19/h1-2,5-6,12,19H,3-4,7-11H2,(H,17,20).
What are the key properties of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide?
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 111457011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).