2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide

C13H15ClN4O — CID 166671176

IUPAC2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C13H15ClN4O/c1-3-17(4-2)13(19)12-10(14)6-5-7-11(12)18-9-15-8-16-18/h5-9H,3-4H2,1-2H3
InChIKeyCDJWLVFIZQONKF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide

2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide (PubChem CID 166671176) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
PubChem CID166671176
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C13H15ClN4O/c1-3-17(4-2)13(19)12-10(14)6-5-7-11(12)18-9-15-8-16-18/h5-9H,3-4H2,1-2H3
InChIKeyCDJWLVFIZQONKF-UHFFFAOYSA-N
XLogP2.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide (CID 166671176) is 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide is CCN(CC)C(=O)c1c(Cl)cccc1-n1cncn1.
What is the InChIKey of 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is CDJWLVFIZQONKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-17(4-2)13(19)12-10(14)6-5-7-11(12)18-9-15-8-16-18/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide?
2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 166671176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).