2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide

C12H13ClN4O — CID 834461

IUPAC2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)NC(=O)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8(2)16-12(18)10-5-9(3-4-11(10)13)17-6-14-15-7-17/h3-8H,1-2H3,(H,16,18)
InChIKeyWCDUYZDQIKUJFR-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834461) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834461
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)NC(=O)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8(2)16-12(18)10-5-9(3-4-11(10)13)17-6-14-15-7-17/h3-8H,1-2H3,(H,16,18)
InChIKeyWCDUYZDQIKUJFR-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide (CID 834461) is 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide is CC(C)NC(=O)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WCDUYZDQIKUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8(2)16-12(18)10-5-9(3-4-11(10)13)17-6-14-15-7-17/h3-8H,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).