3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide

C15H17Cl2N3O2 — CID 110443039

IUPAC3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCCCn1ccnc1
InChIInChI=1S/C15H17Cl2N3O2/c1-22-14-12(17)5-4-11(16)13(14)15(21)19-6-2-3-8-20-9-7-18-10-20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,21)
InChIKeyAMIXPWHDKVFFBV-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.41
Rot. Bonds7

About 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide

3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide (PubChem CID 110443039) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
PubChem CID110443039
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCCCn1ccnc1
InChIInChI=1S/C15H17Cl2N3O2/c1-22-14-12(17)5-4-11(16)13(14)15(21)19-6-2-3-8-20-9-7-18-10-20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,21)
InChIKeyAMIXPWHDKVFFBV-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide (CID 110443039) is 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCCCn1ccnc1.
What is the InChIKey of 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide?
The InChIKey is AMIXPWHDKVFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-22-14-12(17)5-4-11(16)13(14)15(21)19-6-2-3-8-20-9-7-18-10-20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,21).
What are the key properties of 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide?
3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide is sourced from PubChem (CID 110443039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).