2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C20H21F2NO2 — CID 167915265

IUPAC2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1F)CCC2
InChIInChI=1S/C20H21F2NO2/c1-11(2)13-7-6-12-4-3-5-16(14(12)10-13)23-20(25)18-15(21)8-9-17(24)19(18)22/h6-11,16,24H,3-5H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyRKDOTMYYZHDUKK-INIZCTEOSA-N
MW345.39 g/mol
LogP4.60
Rot. Bonds3

About 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 167915265) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID167915265
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1F)CCC2
InChIInChI=1S/C20H21F2NO2/c1-11(2)13-7-6-12-4-3-5-16(14(12)10-13)23-20(25)18-15(21)8-9-17(24)19(18)22/h6-11,16,24H,3-5H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyRKDOTMYYZHDUKK-INIZCTEOSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide
CID 82176214

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 167915265) is 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1F)CCC2.
What is the InChIKey of 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is RKDOTMYYZHDUKK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-11(2)13-7-6-12-4-3-5-16(14(12)10-13)23-20(25)18-15(21)8-9-17(24)19(18)22/h6-11,16,24H,3-5H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 345.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 167915265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).