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

C14H11ClN4O4 — CID 108512860

IUPACN-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11ClN4O4/c1-8-4-5-16-12(6-8)18-14(21)13(20)17-9-2-3-10(15)11(7-9)19(22)23/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyMGVSOLYAEJYIIN-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.53
Rot. Bonds3

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

N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108512860) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID108512860
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11ClN4O4/c1-8-4-5-16-12(6-8)18-14(21)13(20)17-9-2-3-10(15)11(7-9)19(22)23/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyMGVSOLYAEJYIIN-UHFFFAOYSA-N
XLogP2.53
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide (CID 108512860) is N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is MGVSOLYAEJYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c1-8-4-5-16-12(6-8)18-14(21)13(20)17-9-2-3-10(15)11(7-9)19(22)23/h2-7H,1H3,(H,17,20)(H,16,18,21).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 334.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108512860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).