N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide

C12H14ClN3O5 — CID 108506355

IUPACN'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O5/c1-21-6-2-5-14-11(17)12(18)15-10-7-8(16(19)20)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyJVSADJOVSXBAOW-UHFFFAOYSA-N
MW315.71 g/mol
LogP1.34
Rot. Bonds6

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

N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide (PubChem CID 108506355) has the molecular formula C12H14ClN3O5 and a molecular weight of 315.71 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide
PubChem CID108506355
Molecular FormulaC12H14ClN3O5
Molecular Weight315.71 g/mol
Exact Mass315.06
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O5/c1-21-6-2-5-14-11(17)12(18)15-10-7-8(16(19)20)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyJVSADJOVSXBAOW-UHFFFAOYSA-N
XLogP1.34
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 51.34
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'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)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

1-(2-chloro-5-nitrophenyl)-3-(3-methoxypropyl)thiourea
CID 8668454
1-(2-chloro-5-nitrophenyl)-3-(2-methoxyethylcarbamothioylamino)thiourea
CID 8654300
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
1-(3-butoxypropyl)-3-(2-chloro-5-nitrophenyl)thiourea
CID 8624726
1-(2-chloro-5-nitrophenyl)-3-[3-(2,6-dimethylphenoxy)propyl]urea
CID 108881637
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
2-[(2-chloro-5-nitrophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086250
dimethyl 2-[[2-(2-chloro-5-nitroanilino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108513485
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(4-butylphenyl)-N'-(2-chloro-5-nitrophenyl)oxamide
CID 108502372

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide (CID 108506355) is N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The InChIKey is JVSADJOVSXBAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O5/c1-21-6-2-5-14-11(17)12(18)15-10-7-8(16(19)20)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide has a molecular weight of 315.71 g/mol, XLogP of 1.34, 6 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-methoxypropyl)oxamide is sourced from PubChem (CID 108506355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).