2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

C18H19F2NO2 — CID 99872823

IUPAC2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c19-15-6-7-16(17(20)12-15)18(23)21-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2,(H,21,23)/t14-/m0/s1
InChIKeyLHEDOHUCGHNTLL-AWEZNQCLSA-N
MW319.35 g/mol
LogP3.25
Rot. Bonds7

About 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (PubChem CID 99872823) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
PubChem CID99872823
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c19-15-6-7-16(17(20)12-15)18(23)21-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2,(H,21,23)/t14-/m0/s1
InChIKeyLHEDOHUCGHNTLL-AWEZNQCLSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 127041516
N,N'-1,4-butanediylbis(2-fluorobenzamide)
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CID 16188882
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-(trifluoromethyl)benzamide
CID 71716996
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CID 127040583

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (CID 99872823) is 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is O=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The InChIKey is LHEDOHUCGHNTLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F2NO2/c19-15-6-7-16(17(20)12-15)18(23)21-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is sourced from PubChem (CID 99872823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).