N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide

C14H11ClFN3O2 — CID 108530574

IUPACN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C14H11ClFN3O2/c1-8-2-5-12(17-7-8)19-14(21)13(20)18-9-3-4-11(16)10(15)6-9/h2-7H,1H3,(H,18,20)(H,17,19,21)
InChIKeyKDCJLDHMNIXEFO-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.76
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide (PubChem CID 108530574) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
PubChem CID108530574
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C14H11ClFN3O2/c1-8-2-5-12(17-7-8)19-14(21)13(20)18-9-3-4-11(16)10(15)6-9/h2-7H,1H3,(H,18,20)(H,17,19,21)
InChIKeyKDCJLDHMNIXEFO-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide (CID 108530574) is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide?
The InChIKey is KDCJLDHMNIXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c1-8-2-5-12(17-7-8)19-14(21)13(20)18-9-3-4-11(16)10(15)6-9/h2-7H,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide?
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide has a molecular weight of 307.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108530574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).