2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide

C19H21F2NO2 — CID 86185268

IUPAC2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide
SMILESCCCc1ccc(C(CCO)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H21F2NO2/c1-2-4-13-7-9-14(10-8-13)17(11-12-23)22-19(24)18-15(20)5-3-6-16(18)21/h3,5-10,17,23H,2,4,11-12H2,1H3,(H,22,24)
InChIKeyRLPMMEGGADRWOP-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.77
Rot. Bonds7

About 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide

2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide (PubChem CID 86185268) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide
PubChem CID86185268
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide
SMILESCCCc1ccc(C(CCO)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H21F2NO2/c1-2-4-13-7-9-14(10-8-13)17(11-12-23)22-19(24)18-15(20)5-3-6-16(18)21/h3,5-10,17,23H,2,4,11-12H2,1H3,(H,22,24)
InChIKeyRLPMMEGGADRWOP-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
diethyl 2-[(2,6-difluorobenzoyl)amino]propanedioate
CID 59587668
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 66843057
N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24537925
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
CID 64991673
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
3-[(2-chloro-6-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432117
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide (CID 86185268) is 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide is CCCc1ccc(C(CCO)NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide?
The InChIKey is RLPMMEGGADRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-2-4-13-7-9-14(10-8-13)17(11-12-23)22-19(24)18-15(20)5-3-6-16(18)21/h3,5-10,17,23H,2,4,11-12H2,1H3,(H,22,24).
What are the key properties of 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide?
2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide has a molecular weight of 333.38 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-hydroxy-1-(4-propylphenyl)propyl]benzamide is sourced from PubChem (CID 86185268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).