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

C15H20F2N2O2 — CID 111457031

IUPAC2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c16-11-3-6-14(13(17)9-11)18-15(21)10-19(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,18,21)
InChIKeyYLMQGNOPZSDTDG-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.14
Rot. Bonds8

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

2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 111457031) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID111457031
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c16-11-3-6-14(13(17)9-11)18-15(21)10-19(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,18,21)
InChIKeyYLMQGNOPZSDTDG-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.14
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-fluorophenyl)acetamide
CID 111457011
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111432003
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
CID 111754289
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide (CID 111457031) is 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide is O=C(CN(CCCCO)C1CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is YLMQGNOPZSDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-11-3-6-14(13(17)9-11)18-15(21)10-19(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,18,21).
What are the key properties of 2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide?
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.14, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 111457031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).