4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide

C15H17F2N3O3 — CID 51155757

IUPAC4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O3/c1-22-13-9-11(3-4-12(13)23-15(16)17)14(21)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,15H,2,5,7H2,1H3,(H,19,21)
InChIKeyJTJIGPSVMKNKMV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.31
Rot. Bonds8

About 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide (PubChem CID 51155757) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
PubChem CID51155757
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O3/c1-22-13-9-11(3-4-12(13)23-15(16)17)14(21)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,15H,2,5,7H2,1H3,(H,19,21)
InChIKeyJTJIGPSVMKNKMV-UHFFFAOYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide (CID 51155757) is 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide is COc1cc(C(=O)NCCCn2ccnc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The InChIKey is JTJIGPSVMKNKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-22-13-9-11(3-4-12(13)23-15(16)17)14(21)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,15H,2,5,7H2,1H3,(H,19,21).
What are the key properties of 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide has a molecular weight of 325.32 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 51155757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).