N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

C13H18F2N2O2 — CID 115665697

IUPACN-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-9(18)3-4-17(2)8-13(19)16-12-6-10(14)5-11(15)7-12/h5-7,9,18H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyTUXXVQJPEFNYGZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.61
Rot. Bonds6

About N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115665697) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115665697
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-9(18)3-4-17(2)8-13(19)16-12-6-10(14)5-11(15)7-12/h5-7,9,18H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyTUXXVQJPEFNYGZ-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 79651883
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666901
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115665697) is N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is TUXXVQJPEFNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(18)3-4-17(2)8-13(19)16-12-6-10(14)5-11(15)7-12/h5-7,9,18H,3-4,8H2,1-2H3,(H,16,19).
What are the key properties of N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115665697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).