N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide

C18H18F3NO2 — CID 111451226

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C18H18F3NO2/c1-11(12-5-7-13(19)8-6-12)9-17(24)22-10-16(23)18-14(20)3-2-4-15(18)21/h2-8,11,16,23H,9-10H2,1H3,(H,22,24)
InChIKeyCVUAMCVKWKOPGQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide (PubChem CID 111451226) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
PubChem CID111451226
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccc(F)cc1
InChIInChI=1S/C18H18F3NO2/c1-11(12-5-7-13(19)8-6-12)9-17(24)22-10-16(23)18-14(20)3-2-4-15(18)21/h2-8,11,16,23H,9-10H2,1H3,(H,22,24)
InChIKeyCVUAMCVKWKOPGQ-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
CID 111451449
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451423
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide (CID 111451226) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)NCC(O)c1c(F)cccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide?
The InChIKey is CVUAMCVKWKOPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-11(12-5-7-13(19)8-6-12)9-17(24)22-10-16(23)18-14(20)3-2-4-15(18)21/h2-8,11,16,23H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide has a molecular weight of 337.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 111451226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).