4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide

C22H24F2N2O4 — CID 100702200

IUPAC4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
SMILESC[C@@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@H](C)O1
InChIInChI=1S/C22H24F2N2O4/c1-12-5-14(6-13(2)30-12)11-25-22(29)19-4-3-18(10-20(19)27)26-21(28)15-7-16(23)9-17(24)8-15/h3-4,7-10,12-14,27H,5-6,11H2,1-2H3,(H,25,29)(H,26,28)/t12-,13+,14?
InChIKeyRKUHIYNYQJOPTG-PBWFPOADSA-N
MW418.44 g/mol
LogP3.86
Rot. Bonds5

About 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide

4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide (PubChem CID 100702200) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
PubChem CID100702200
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
SMILESC[C@@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@H](C)O1
InChIInChI=1S/C22H24F2N2O4/c1-12-5-14(6-13(2)30-12)11-25-22(29)19-4-3-18(10-20(19)27)26-21(28)15-7-16(23)9-17(24)8-15/h3-4,7-10,12-14,27H,5-6,11H2,1-2H3,(H,25,29)(H,26,28)/t12-,13+,14?
InChIKeyRKUHIYNYQJOPTG-PBWFPOADSA-N
XLogP3.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide with MolForge

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Related Compounds

4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
CID 56562302
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CID 86832004
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
CID 60572464
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CID 60572609
4-[(3,5-difluorobenzoyl)amino]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-hydroxybenzamide
CID 56576043
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3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
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CID 103739641
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CID 52559092
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide?
The IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide (CID 100702200) is 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide is C[C@@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@H](C)O1.
What is the InChIKey of 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide?
The InChIKey is RKUHIYNYQJOPTG-PBWFPOADSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-12-5-14(6-13(2)30-12)11-25-22(29)19-4-3-18(10-20(19)27)26-21(28)15-7-16(23)9-17(24)8-15/h3-4,7-10,12-14,27H,5-6,11H2,1-2H3,(H,25,29)(H,26,28)/t12-,13+,14?.
What are the key properties of 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide?
4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide has a molecular weight of 418.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 100702200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).