2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C14H20FNO2 — CID 54917289

IUPAC2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-11(2)16(7-4-8-17)14(18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3
InChIKeyLYOBERAAICFSAU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 54917289) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID54917289
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-11(2)16(7-4-8-17)14(18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3
InChIKeyLYOBERAAICFSAU-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
N-(3-hydroxypropyl)-N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 61038549
3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
CID 62821222
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
CID 54538420
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 77000861
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 54917289) is 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is LYOBERAAICFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(2)16(7-4-8-17)14(18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 253.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54917289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).