N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide

C13H17ClN4O4 — CID 108512751

IUPACN'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17ClN4O4/c1-17(2)7-3-6-15-12(19)13(20)16-9-4-5-10(14)11(8-9)18(21)22/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLWXQQNCSDBJBQX-UHFFFAOYSA-N
MW328.76 g/mol
LogP1.25
Rot. Bonds6

About N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide

N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 108512751) has the molecular formula C13H17ClN4O4 and a molecular weight of 328.76 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
PubChem CID108512751
Molecular FormulaC13H17ClN4O4
Molecular Weight328.76 g/mol
Exact Mass328.09
IUPAC NameN'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17ClN4O4/c1-17(2)7-3-6-15-12(19)13(20)16-9-4-5-10(14)11(8-9)18(21)22/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLWXQQNCSDBJBQX-UHFFFAOYSA-N
XLogP1.25
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
4-[(4-chloro-3-nitrophenyl)carbamoyl-methylamino]butanoic acid
CID 107812000
N-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880656
N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
CID 108512726
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
3-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324672
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide (CID 108512751) is N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is LWXQQNCSDBJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O4/c1-17(2)7-3-6-15-12(19)13(20)16-9-4-5-10(14)11(8-9)18(21)22/h4-5,8H,3,6-7H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide?
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 328.76 g/mol, XLogP of 1.25, 6 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-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 108512751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).