N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide

C21H23F2NO2 — CID 174866379

IUPACN-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1F)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C21H23F2NO2/c1-14(20(25)24-18-9-5-8-17(22)19(18)23)21(26)12-10-16(11-13-21)15-6-3-2-4-7-15/h2-9,14,16,26H,10-13H2,1H3,(H,24,25)
InChIKeyCZNDVQDQHGLDEB-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.63
Rot. Bonds4

About N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide

N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide (PubChem CID 174866379) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
PubChem CID174866379
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1F)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C21H23F2NO2/c1-14(20(25)24-18-9-5-8-17(22)19(18)23)21(26)12-10-16(11-13-21)15-6-3-2-4-7-15/h2-9,14,16,26H,10-13H2,1H3,(H,24,25)
InChIKeyCZNDVQDQHGLDEB-UHFFFAOYSA-N
XLogP4.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide (CID 174866379) is N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide is CC(C(=O)Nc1cccc(F)c1F)C1(O)CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The InChIKey is CZNDVQDQHGLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-14(20(25)24-18-9-5-8-17(22)19(18)23)21(26)12-10-16(11-13-21)15-6-3-2-4-7-15/h2-9,14,16,26H,10-13H2,1H3,(H,24,25).
What are the key properties of N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide has a molecular weight of 359.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide is sourced from PubChem (CID 174866379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).