4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide

C21H25F2NO3 — CID 139007179

IUPAC4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CCCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H25F2NO3/c1-14(2)27-17-9-7-16(8-10-17)20(25)13-24-21(26)5-3-4-15-6-11-18(22)19(23)12-15/h6-12,14,20,25H,3-5,13H2,1-2H3,(H,24,26)
InChIKeyPPEQIGREYJBGEI-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.92
Rot. Bonds9

About 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide

4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 139007179) has the molecular formula C21H25F2NO3 and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID139007179
Molecular FormulaC21H25F2NO3
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CCCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H25F2NO3/c1-14(2)27-17-9-7-16(8-10-17)20(25)13-24-21(26)5-3-4-15-6-11-18(22)19(23)12-15/h6-12,14,20,25H,3-5,13H2,1-2H3,(H,24,26)
InChIKeyPPEQIGREYJBGEI-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
2-(3-fluoroanilino)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71968998
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide (CID 139007179) is 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide is CC(C)Oc1ccc(C(O)CNC(=O)CCCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is PPEQIGREYJBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO3/c1-14(2)27-17-9-7-16(8-10-17)20(25)13-24-21(26)5-3-4-15-6-11-18(22)19(23)12-15/h6-12,14,20,25H,3-5,13H2,1-2H3,(H,24,26).
What are the key properties of 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide?
4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 377.43 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 139007179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).