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

C14H11ClN4O4 — CID 108513596

IUPACN-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H11ClN4O4/c1-8-3-2-6-16-12(8)18-14(21)13(20)17-11-7-9(19(22)23)4-5-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyQCOLRSRPHKRJGM-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.53
Rot. Bonds3

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

N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide (PubChem CID 108513596) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
PubChem CID108513596
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC NameN-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H11ClN4O4/c1-8-3-2-6-16-12(8)18-14(21)13(20)17-11-7-9(19(22)23)4-5-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyQCOLRSRPHKRJGM-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

2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108513496
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108513541
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide (CID 108513596) is N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide is Cc1cccnc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The InChIKey is QCOLRSRPHKRJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c1-8-3-2-6-16-12(8)18-14(21)13(20)17-11-7-9(19(22)23)4-5-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21).
What are the key properties of N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
N-(2-chloro-5-nitrophenyl)-N'-(3-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-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108513596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).