2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide

C14H15Cl2N3O — CID 47068478

IUPAC2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
SMILESO=C(NCCCCn1ccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-12-5-3-4-11(13(12)16)14(20)18-6-1-2-8-19-9-7-17-10-19/h3-5,7,9-10H,1-2,6,8H2,(H,18,20)
InChIKeyMMUVKQCZYXOWCE-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.40
Rot. Bonds6

About 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide

2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide (PubChem CID 47068478) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
PubChem CID47068478
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
SMILESO=C(NCCCCn1ccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-12-5-3-4-11(13(12)16)14(20)18-6-1-2-8-19-9-7-17-10-19/h3-5,7,9-10H,1-2,6,8H2,(H,18,20)
InChIKeyMMUVKQCZYXOWCE-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
CID 13280079
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide (CID 47068478) is 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide is O=C(NCCCCn1ccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide?
The InChIKey is MMUVKQCZYXOWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-12-5-3-4-11(13(12)16)14(20)18-6-1-2-8-19-9-7-17-10-19/h3-5,7,9-10H,1-2,6,8H2,(H,18,20).
What are the key properties of 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide?
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide has a molecular weight of 312.20 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide is sourced from PubChem (CID 47068478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).