N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C14H13Cl2N5O2 — CID 112525391

IUPACN-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N5O2/c15-9-3-10(16)5-11(4-9)17-13(22)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,22)(H,18,23)
InChIKeyRFOOJNIXCRSWEG-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.57
Rot. Bonds5

About N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112525391) has the molecular formula C14H13Cl2N5O2 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112525391
Molecular FormulaC14H13Cl2N5O2
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC NameN-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N5O2/c15-9-3-10(16)5-11(4-9)17-13(22)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,22)(H,18,23)
InChIKeyRFOOJNIXCRSWEG-UHFFFAOYSA-N
XLogP2.57
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112525391) is N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is O=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is RFOOJNIXCRSWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O2/c15-9-3-10(16)5-11(4-9)17-13(22)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,22)(H,18,23).
What are the key properties of N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 354.20 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112525391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).