N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

C23H24FN7O — CID 72699857

IUPACN-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C23H24FN7O/c1-4-30(23(32)20-13-16(2)5-10-22(20)31-25-11-12-26-31)17(3)14-29-15-21(27-28-29)18-6-8-19(24)9-7-18/h5-13,15,17H,4,14H2,1-3H3/t17-/m0/s1
InChIKeyWCWLIZXQDHZYJT-KRWDZBQOSA-N
MW433.49 g/mol
LogP3.52
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 72699857) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID72699857
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC NameN-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C23H24FN7O/c1-4-30(23(32)20-13-16(2)5-10-22(20)31-25-11-12-26-31)17(3)14-29-15-21(27-28-29)18-6-8-19(24)9-7-18/h5-13,15,17H,4,14H2,1-3H3/t17-/m0/s1
InChIKeyWCWLIZXQDHZYJT-KRWDZBQOSA-N
XLogP3.52
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 72699857) is N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is WCWLIZXQDHZYJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-4-30(23(32)20-13-16(2)5-10-22(20)31-25-11-12-26-31)17(3)14-29-15-21(27-28-29)18-6-8-19(24)9-7-18/h5-13,15,17H,4,14H2,1-3H3/t17-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72699857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).