N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide

C18H20FNO2 — CID 75385860

IUPACN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2/c1-11-4-5-12(2)16(10-11)18(22)20-13(3)17(21)14-6-8-15(19)9-7-14/h4-10,13,17,21H,1-3H3,(H,20,22)
InChIKeySAQSWKVQRPAEIS-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide

N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide (PubChem CID 75385860) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
PubChem CID75385860
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2/c1-11-4-5-12(2)16(10-11)18(22)20-13(3)17(21)14-6-8-15(19)9-7-14/h4-10,13,17,21H,1-3H3,(H,20,22)
InChIKeySAQSWKVQRPAEIS-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
CID 110177830
1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99715550
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116733
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116785
4-chloro-N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-methyl-6-nitrobenzamide
CID 99779224

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide (CID 75385860) is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide?
The InChIKey is SAQSWKVQRPAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-11-4-5-12(2)16(10-11)18(22)20-13(3)17(21)14-6-8-15(19)9-7-14/h4-10,13,17,21H,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide?
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 75385860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).