2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

C19H18FN3O2 — CID 118663052

IUPAC2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)cc(F)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)18-16(20)8-14(9-17(18)25-2)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeySMVSFIUZEOJMAF-GFCCVEGCSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds5

About 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663052) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663052
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)cc(F)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)18-16(20)8-14(9-17(18)25-2)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeySMVSFIUZEOJMAF-GFCCVEGCSA-N
XLogP3.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118663052) is 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)cc(F)c1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is SMVSFIUZEOJMAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)18-16(20)8-14(9-17(18)25-2)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1.
What are the key properties of 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).