N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C14H14Cl2N4O2 — CID 3107625

IUPACN'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O2/c15-10-3-1-4-11(12(10)16)19-14(22)13(21)18-5-2-7-20-8-6-17-9-20/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,22)
InChIKeyYEXYURZZBQWCKR-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.33
Rot. Bonds5

About N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide

N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 3107625) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID3107625
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC NameN'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O2/c15-10-3-1-4-11(12(10)16)19-14(22)13(21)18-5-2-7-20-8-6-17-9-20/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,22)
InChIKeyYEXYURZZBQWCKR-UHFFFAOYSA-N
XLogP2.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
1-(3-chloro-2-methylsulfanylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 75374612
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 42536590
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 3107625) is N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is YEXYURZZBQWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-10-3-1-4-11(12(10)16)19-14(22)13(21)18-5-2-7-20-8-6-17-9-20/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,22).
What are the key properties of N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 341.20 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 3107625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).