2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide

C12H11ClN4O3 — CID 62400556

IUPAC2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
SMILESO=C(Cn1cc(CO)nn1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O3/c13-10-4-2-1-3-9(10)12(20)14-11(19)6-17-5-8(7-18)15-16-17/h1-5,18H,6-7H2,(H,14,19,20)
InChIKeyWPVZUDILOUHSLC-UHFFFAOYSA-N
MW294.70 g/mol
LogP0.38
Rot. Bonds4

About 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide

2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide (PubChem CID 62400556) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
PubChem CID62400556
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
SMILESO=C(Cn1cc(CO)nn1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O3/c13-10-4-2-1-3-9(10)12(20)14-11(19)6-17-5-8(7-18)15-16-17/h1-5,18H,6-7H2,(H,14,19,20)
InChIKeyWPVZUDILOUHSLC-UHFFFAOYSA-N
XLogP0.38
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide (CID 62400556) is 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide is O=C(Cn1cc(CO)nn1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide?
The InChIKey is WPVZUDILOUHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c13-10-4-2-1-3-9(10)12(20)14-11(19)6-17-5-8(7-18)15-16-17/h1-5,18H,6-7H2,(H,14,19,20).
What are the key properties of 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide?
2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide has a molecular weight of 294.70 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide is sourced from PubChem (CID 62400556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).