2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

C20H20FN3O3 — CID 118663021

IUPAC2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2F)c1
InChIInChI=1S/C20H20FN3O3/c1-12(13-5-4-6-15(9-13)26-2)24-20(25)17-8-7-16(14-10-22-23-11-14)19(27-3)18(17)21/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyMQHAUPTVCAFIJM-GFCCVEGCSA-N
MW369.40 g/mol
LogP3.72
Rot. Bonds6

About 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663021) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663021
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2F)c1
InChIInChI=1S/C20H20FN3O3/c1-12(13-5-4-6-15(9-13)26-2)24-20(25)17-8-7-16(14-10-22-23-11-14)19(27-3)18(17)21/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyMQHAUPTVCAFIJM-GFCCVEGCSA-N
XLogP3.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118663021) is 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2F)c1.
What is the InChIKey of 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is MQHAUPTVCAFIJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(13-5-4-6-15(9-13)26-2)24-20(25)17-8-7-16(14-10-22-23-11-14)19(27-3)18(17)21/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m1/s1.
What are the key properties of 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 369.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).