N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide

C15H20ClN3O4 — CID 108512726

IUPACN'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20ClN3O4/c1-3-5-9-18(8-4-2)15(21)14(20)17-11-6-7-12(16)13(10-11)19(22)23/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyJAOWWHNNIRHZRP-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.23
Rot. Bonds7

About N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide

N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide (PubChem CID 108512726) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
PubChem CID108512726
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC NameN'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20ClN3O4/c1-3-5-9-18(8-4-2)15(21)14(20)17-11-6-7-12(16)13(10-11)19(22)23/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyJAOWWHNNIRHZRP-UHFFFAOYSA-N
XLogP3.23
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
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

3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(dibutylamino)prop-2-enamide
CID 108852298
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121347
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108512851

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide (CID 108512726) is N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide?
The InChIKey is JAOWWHNNIRHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-3-5-9-18(8-4-2)15(21)14(20)17-11-6-7-12(16)13(10-11)19(22)23/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide?
N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide has a molecular weight of 341.80 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide is sourced from PubChem (CID 108512726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).