5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide

C19H22FNO3 — CID 71012431

IUPAC5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(-c2cc(C(C)C)c(O)cc2O)ccc1F
InChIInChI=1S/C19H22FNO3/c1-10(2)13-8-14(18(23)9-17(13)22)12-5-6-16(20)15(7-12)19(24)21-11(3)4/h5-11,22-23H,1-4H3,(H,21,24)
InChIKeyLPFWYKWPBOOMBX-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.17
Rot. Bonds4

About 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 71012431) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide
PubChem CID71012431
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(-c2cc(C(C)C)c(O)cc2O)ccc1F
InChIInChI=1S/C19H22FNO3/c1-10(2)13-8-14(18(23)9-17(13)22)12-5-6-16(20)15(7-12)19(24)21-11(3)4/h5-11,22-23H,1-4H3,(H,21,24)
InChIKeyLPFWYKWPBOOMBX-UHFFFAOYSA-N
XLogP4.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
CID 139030542
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
N,2-di(propan-2-yl)benzamide
CID 14972595
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316512
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide (CID 71012431) is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(-c2cc(C(C)C)c(O)cc2O)ccc1F.
What is the InChIKey of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is LPFWYKWPBOOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-10(2)13-8-14(18(23)9-17(13)22)12-5-6-16(20)15(7-12)19(24)21-11(3)4/h5-11,22-23H,1-4H3,(H,21,24).
What are the key properties of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide?
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 331.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 71012431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).