5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide

C13H14Cl2N4O — CID 107183495

IUPAC5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-11-7-9(16)6-10(12(11)15)13(20)18-2-1-4-19-5-3-17-8-19/h3,5-8H,1-2,4,16H2,(H,18,20)
InChIKeyLOQHWLNCPATSDR-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.59
Rot. Bonds5

About 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide

5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 107183495) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID107183495
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-11-7-9(16)6-10(12(11)15)13(20)18-2-1-4-19-5-3-17-8-19/h3,5-8H,1-2,4,16H2,(H,18,20)
InChIKeyLOQHWLNCPATSDR-UHFFFAOYSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide (CID 107183495) is 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is LOQHWLNCPATSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c14-11-7-9(16)6-10(12(11)15)13(20)18-2-1-4-19-5-3-17-8-19/h3,5-8H,1-2,4,16H2,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide?
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 107183495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).