3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide

C17H15ClN6O2 — CID 26124211

IUPAC3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN6O2/c1-24-16(21-22-23-24)11-4-3-7-14(9-11)20-15(25)10-19-17(26)12-5-2-6-13(18)8-12/h2-9H,10H2,1H3,(H,19,26)(H,20,25)
InChIKeyRFUREFVFGFRFJI-UHFFFAOYSA-N
MW370.80 g/mol
LogP1.90
Rot. Bonds5

About 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide

3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 26124211) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
PubChem CID26124211
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN6O2/c1-24-16(21-22-23-24)11-4-3-7-14(9-11)20-15(25)10-19-17(26)12-5-2-6-13(18)8-12/h2-9H,10H2,1H3,(H,19,26)(H,20,25)
InChIKeyRFUREFVFGFRFJI-UHFFFAOYSA-N
XLogP1.90
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide (CID 26124211) is 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide is Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is RFUREFVFGFRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-24-16(21-22-23-24)11-4-3-7-14(9-11)20-15(25)10-19-17(26)12-5-2-6-13(18)8-12/h2-9H,10H2,1H3,(H,19,26)(H,20,25).
What are the key properties of 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 370.80 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26124211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).