N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide

C11H10ClN5O2 — CID 108506085

IUPACN-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nn1cnnc1
InChIInChI=1S/C11H10ClN5O2/c12-9-4-2-1-3-8(9)5-13-10(18)11(19)16-17-6-14-15-7-17/h1-4,6-7H,5H2,(H,13,18)(H,16,19)
InChIKeyFNJHKHBIQUPUGA-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.32
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide

N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108506085) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108506085
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nn1cnnc1
InChIInChI=1S/C11H10ClN5O2/c12-9-4-2-1-3-8(9)5-13-10(18)11(19)16-17-6-14-15-7-17/h1-4,6-7H,5H2,(H,13,18)(H,16,19)
InChIKeyFNJHKHBIQUPUGA-UHFFFAOYSA-N
XLogP0.32
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
CID 89250743
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999999
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide (CID 108506085) is N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide is O=C(NCc1ccccc1Cl)C(=O)Nn1cnnc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is FNJHKHBIQUPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-9-4-2-1-3-8(9)5-13-10(18)11(19)16-17-6-14-15-7-17/h1-4,6-7H,5H2,(H,13,18)(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 279.69 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108506085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).