N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

C14H20F2N2O2 — CID 62022595

IUPACN-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-10(2)18(6-3-7-19)9-14(20)17-11-4-5-12(15)13(16)8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyOBJIXWNSASZDOE-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.00
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 62022595) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID62022595
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-10(2)18(6-3-7-19)9-14(20)17-11-4-5-12(15)13(16)8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyOBJIXWNSASZDOE-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62021403
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62015602
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
3-[[2-(4-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840352
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (CID 62022595) is N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is CC(C)N(CCCO)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is OBJIXWNSASZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-10(2)18(6-3-7-19)9-14(20)17-11-4-5-12(15)13(16)8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 286.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62022595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).