2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide

C13H13F2N3O — CID 62649023

IUPAC2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7H2,(H,17,19)
InChIKeyLUPRPSQZJPWGEL-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.98
Rot. Bonds5

About 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide

2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 62649023) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID62649023
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7H2,(H,17,19)
InChIKeyLUPRPSQZJPWGEL-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.98
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

N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide (CID 62649023) is 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is LUPRPSQZJPWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-11-4-1-3-10(12(11)15)13(19)17-5-2-7-18-8-6-16-9-18/h1,3-4,6,8-9H,2,5,7H2,(H,17,19).
What are the key properties of 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide?
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 265.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 62649023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).