N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

C21H22FN3O3 — CID 118663050

IUPACN-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC(c1ccccc1F)C(C)(C)O
InChIInChI=1S/C21H22FN3O3/c1-21(2,27)19(15-6-4-5-7-17(15)22)25-20(26)16-9-8-13(10-18(16)28-3)14-11-23-24-12-14/h4-12,19,27H,1-3H3,(H,23,24)(H,25,26)
InChIKeyUARARIOSCGMOEN-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.47
Rot. Bonds6

About N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663050) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663050
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC(c1ccccc1F)C(C)(C)O
InChIInChI=1S/C21H22FN3O3/c1-21(2,27)19(15-6-4-5-7-17(15)22)25-20(26)16-9-8-13(10-18(16)28-3)14-11-23-24-12-14/h4-12,19,27H,1-3H3,(H,23,24)(H,25,26)
InChIKeyUARARIOSCGMOEN-UHFFFAOYSA-N
XLogP3.47
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 162656129
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662966
N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662921
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662919
2-methoxy-4-(1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 117075346
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
CID 154987872
2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286776
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118663050) is N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)ccc1C(=O)NC(c1ccccc1F)C(C)(C)O.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is UARARIOSCGMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-21(2,27)19(15-6-4-5-7-17(15)22)25-20(26)16-9-8-13(10-18(16)28-3)14-11-23-24-12-14/h4-12,19,27H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 383.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).