N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

C18H20F2N2O2 — CID 110919043

IUPACN-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-2-15(23)11-22(14-6-4-3-5-7-14)12-18(24)21-17-10-13(19)8-9-16(17)20/h3-10,15,23H,2,11-12H2,1H3,(H,21,24)
InChIKeyGKQBGWFEDFUMKT-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.18
Rot. Bonds7

About N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (PubChem CID 110919043) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
PubChem CID110919043
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-2-15(23)11-22(14-6-4-3-5-7-14)12-18(24)21-17-10-13(19)8-9-16(17)20/h3-10,15,23H,2,11-12H2,1H3,(H,21,24)
InChIKeyGKQBGWFEDFUMKT-UHFFFAOYSA-N
XLogP3.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919048
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
CID 56526498
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
CID 50960253
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (CID 110919043) is N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is CCC(O)CN(CC(=O)Nc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The InChIKey is GKQBGWFEDFUMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-2-15(23)11-22(14-6-4-3-5-7-14)12-18(24)21-17-10-13(19)8-9-16(17)20/h3-10,15,23H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide has a molecular weight of 334.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is sourced from PubChem (CID 110919043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).