3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide

C12H12Cl2N4O2 — CID 57200376

IUPAC3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide
SMILESNC(=O)CC(O)(Cn1ccnn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-1-2-9(10(14)5-8)12(20,6-11(15)19)7-18-4-3-16-17-18/h1-5,20H,6-7H2,(H2,15,19)
InChIKeyVPVKAEHMNKZICF-UHFFFAOYSA-N
MW315.16 g/mol
LogP1.35
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide

3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide (PubChem CID 57200376) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide
PubChem CID57200376
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide
SMILESNC(=O)CC(O)(Cn1ccnn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-1-2-9(10(14)5-8)12(20,6-11(15)19)7-18-4-3-16-17-18/h1-5,20H,6-7H2,(H2,15,19)
InChIKeyVPVKAEHMNKZICF-UHFFFAOYSA-N
XLogP1.35
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide (CID 57200376) is 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide is NC(=O)CC(O)(Cn1ccnn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide?
The InChIKey is VPVKAEHMNKZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c13-8-1-2-9(10(14)5-8)12(20,6-11(15)19)7-18-4-3-16-17-18/h1-5,20H,6-7H2,(H2,15,19).
What are the key properties of 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide?
3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide has a molecular weight of 315.16 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-hydroxy-4-(triazol-1-yl)butanamide is sourced from PubChem (CID 57200376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).