N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide

C17H14FN5O2 — CID 56788494

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)C1=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H14FN5O2/c18-11-3-1-2-4-15(11)23-8-7-13(17(23)25)19-16(24)10-5-6-12-14(9-10)21-22-20-12/h1-6,9,13H,7-8H2,(H,19,24)(H,20,21,22)
InChIKeyVWZMHXBXJUVISM-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 56788494) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
PubChem CID56788494
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)C1=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H14FN5O2/c18-11-3-1-2-4-15(11)23-8-7-13(17(23)25)19-16(24)10-5-6-12-14(9-10)21-22-20-12/h1-6,9,13H,7-8H2,(H,19,24)(H,20,21,22)
InChIKeyVWZMHXBXJUVISM-UHFFFAOYSA-N
XLogP1.63
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25218675
CID 25218675
CID 11703749
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CID 900745
CID 900745
CID 1088543
CID 1088543
CID 900740
CID 900740
CID 900757
CID 900757
CID 977104
CID 977104
CID 1088541
CID 1088541
CID 2950653
CID 2950653
CID 9117474
CID 9117474
CID 16024630
CID 16024630
CID 16024632
CID 16024632

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide (CID 56788494) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide is O=C(NC1CCN(c2ccccc2F)C1=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is VWZMHXBXJUVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-11-3-1-2-4-15(11)23-8-7-13(17(23)25)19-16(24)10-5-6-12-14(9-10)21-22-20-12/h1-6,9,13H,7-8H2,(H,19,24)(H,20,21,22).
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 56788494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).