(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide

C17H17F2NO3 — CID 11484061

IUPAC(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide
SMILESO=C(C[C@@H](O)Cc1cc(F)ccc1F)NOCc1ccccc1
InChIInChI=1S/C17H17F2NO3/c18-14-6-7-16(19)13(8-14)9-15(21)10-17(22)20-23-11-12-4-2-1-3-5-12/h1-8,15,21H,9-11H2,(H,20,22)/t15-/m0/s1
InChIKeyYHZJPKMBBWVTCF-HNNXBMFYSA-N
MW321.32 g/mol
LogP2.51
Rot. Bonds7

About (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide

(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide (PubChem CID 11484061) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide
PubChem CID11484061
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide
SMILESO=C(C[C@@H](O)Cc1cc(F)ccc1F)NOCc1ccccc1
InChIInChI=1S/C17H17F2NO3/c18-14-6-7-16(19)13(8-14)9-15(21)10-17(22)20-23-11-12-4-2-1-3-5-12/h1-8,15,21H,9-11H2,(H,20,22)/t15-/m0/s1
InChIKeyYHZJPKMBBWVTCF-HNNXBMFYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide?
The IUPAC name of (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide (CID 11484061) is (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide.
What is the SMILES notation for (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide?
The canonical SMILES for (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide is O=C(C[C@@H](O)Cc1cc(F)ccc1F)NOCc1ccccc1.
What is the InChIKey of (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide?
The InChIKey is YHZJPKMBBWVTCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c18-14-6-7-16(19)13(8-14)9-15(21)10-17(22)20-23-11-12-4-2-1-3-5-12/h1-8,15,21H,9-11H2,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide?
(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide has a molecular weight of 321.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide is sourced from PubChem (CID 11484061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).