N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide

C12H14ClN3O4 — CID 108506810

IUPACN'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14ClN3O4/c1-12(2,3)15-11(18)10(17)14-7-4-5-8(13)9(6-7)16(19)20/h4-6H,1-3H3,(H,14,17)(H,15,18)
InChIKeyIBJMQRMJWXNOFL-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.10
Rot. Bonds2

About N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide

N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide (PubChem CID 108506810) has the molecular formula C12H14ClN3O4 and a molecular weight of 299.71 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
PubChem CID108506810
Molecular FormulaC12H14ClN3O4
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC NameN'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14ClN3O4/c1-12(2,3)15-11(18)10(17)14-7-4-5-8(13)9(6-7)16(19)20/h4-6H,1-3H3,(H,14,17)(H,15,18)
InChIKeyIBJMQRMJWXNOFL-UHFFFAOYSA-N
XLogP2.10
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108512860
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide (CID 108506810) is N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide?
The InChIKey is IBJMQRMJWXNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4/c1-12(2,3)15-11(18)10(17)14-7-4-5-8(13)9(6-7)16(19)20/h4-6H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide?
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide has a molecular weight of 299.71 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide is sourced from PubChem (CID 108506810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).