2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

C16H15F2NO2 — CID 175724621

IUPAC2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H](F)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c17-12-7-5-10(6-8-12)15(20)14(18)9-11-3-1-2-4-13(11)16(19)21/h1-8,14-15,20H,9H2,(H2,19,21)/t14-,15-/m0/s1
InChIKeyKJGCNIRHSKUUMV-GJZGRUSLSA-N
MW291.30 g/mol
LogP2.54
Rot. Bonds5

About 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 175724621) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID175724621
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H](F)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c17-12-7-5-10(6-8-12)15(20)14(18)9-11-3-1-2-4-13(11)16(19)21/h1-8,14-15,20H,9H2,(H2,19,21)/t14-,15-/m0/s1
InChIKeyKJGCNIRHSKUUMV-GJZGRUSLSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2R)-2-aminobutyl]benzamide
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2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
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(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
2-(2-methylpropyl)benzenecarboperoxoic acid
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CID 174804503

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (CID 175724621) is 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is NC(=O)c1ccccc1C[C@H](F)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is KJGCNIRHSKUUMV-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-12-7-5-10(6-8-12)15(20)14(18)9-11-3-1-2-4-13(11)16(19)21/h1-8,14-15,20H,9H2,(H2,19,21)/t14-,15-/m0/s1.
What are the key properties of 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 175724621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).