N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide

C10H7ClFN5O2 — CID 108519183

IUPACN-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H7ClFN5O2/c11-7-3-6(1-2-8(7)12)15-9(18)10(19)16-17-4-13-14-5-17/h1-5H,(H,15,18)(H,16,19)
InChIKeyBJZLWHPKEYVLMC-UHFFFAOYSA-N
MW283.65 g/mol
LogP0.78
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide

N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 108519183) has the molecular formula C10H7ClFN5O2 and a molecular weight of 283.65 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID108519183
Molecular FormulaC10H7ClFN5O2
Molecular Weight283.65 g/mol
Exact Mass283.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H7ClFN5O2/c11-7-3-6(1-2-8(7)12)15-9(18)10(19)16-17-4-13-14-5-17/h1-5H,(H,15,18)(H,16,19)
InChIKeyBJZLWHPKEYVLMC-UHFFFAOYSA-N
XLogP0.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 50.78
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'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519080
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
CID 108530574
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide (CID 108519183) is N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide is O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nn1cnnc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is BJZLWHPKEYVLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN5O2/c11-7-3-6(1-2-8(7)12)15-9(18)10(19)16-17-4-13-14-5-17/h1-5H,(H,15,18)(H,16,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 283.65 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 108519183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).