5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide

C17H17F2NO2 — CID 129358679

IUPAC5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-11-2-5-14(19)9-16(11)17(22)20-15(10-21)8-12-3-6-13(18)7-4-12/h2-7,9,15,21H,8,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyREICYDHFDAAQDR-HNNXBMFYSA-N
MW305.32 g/mol
LogP2.61
Rot. Bonds5

About 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide

5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide (PubChem CID 129358679) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
PubChem CID129358679
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-11-2-5-14(19)9-16(11)17(22)20-15(10-21)8-12-3-6-13(18)7-4-12/h2-7,9,15,21H,8,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyREICYDHFDAAQDR-HNNXBMFYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
CID 65191269
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
CID 106182347
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide (CID 129358679) is 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N[C@H](CO)Cc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide?
The InChIKey is REICYDHFDAAQDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11-2-5-14(19)9-16(11)17(22)20-15(10-21)8-12-3-6-13(18)7-4-12/h2-7,9,15,21H,8,10H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide?
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide has a molecular weight of 305.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 129358679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).