N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

C22H24FN5O2 — CID 96510109

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H24FN5O2/c1-16-12-19(28-15-24-14-26-28)6-7-20(16)22(29)25-13-21(27-8-10-30-11-9-27)17-2-4-18(23)5-3-17/h2-7,12,14-15,21H,8-11,13H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyHEBZZQUZORCWBV-NRFANRHFSA-N
MW409.47 g/mol
LogP2.52
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 96510109) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID96510109
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(-n2cncn2)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H24FN5O2/c1-16-12-19(28-15-24-14-26-28)6-7-20(16)22(29)25-13-21(27-8-10-30-11-9-27)17-2-4-18(23)5-3-17/h2-7,12,14-15,21H,8-11,13H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyHEBZZQUZORCWBV-NRFANRHFSA-N
XLogP2.52
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 96510109) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(-n2cncn2)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is HEBZZQUZORCWBV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-16-12-19(28-15-24-14-26-28)6-7-20(16)22(29)25-13-21(27-8-10-30-11-9-27)17-2-4-18(23)5-3-17/h2-7,12,14-15,21H,8-11,13H2,1H3,(H,25,29)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 96510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).