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

C19H18FN3O2 — CID 162653727

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18FN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyWHGWETKOANDIKB-GFCCVEGCSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds5

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 162653727) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID162653727
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18FN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyWHGWETKOANDIKB-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 N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 162653727) is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is WHGWETKOANDIKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)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 N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-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 N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 162653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).