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

C19H18FN3O2 — CID 118662912

IUPAC5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)c(F)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)16-8-17(20)15(9-18(16)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyNTVGZILGUNKNME-GFCCVEGCSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662912) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662912
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)c(F)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)16-8-17(20)15(9-18(16)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyNTVGZILGUNKNME-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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Related Compounds

Melk-T1(jnj-47117096)
CID 73442760
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995077
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 44191420
2,2,2-trifluoro-1-[4-[7-(1H-pyrazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604870
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118662912) is 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)c(F)cc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is NTVGZILGUNKNME-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(13-6-4-3-5-7-13)23-19(24)16-8-17(20)15(9-18(16)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
5-fluoro-2-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 5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).