2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide

C14H13F4N3O — CID 122145663

IUPAC2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
SMILESCC(CNC(=O)c1c(F)c(F)cc(F)c1F)Cn1ccnc1
InChIInChI=1S/C14H13F4N3O/c1-8(6-21-3-2-19-7-21)5-20-14(22)11-12(17)9(15)4-10(16)13(11)18/h2-4,7-8H,5-6H2,1H3,(H,20,22)
InChIKeyRCXWTAWBPCSZGO-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.51
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide

2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide (PubChem CID 122145663) has the molecular formula C14H13F4N3O and a molecular weight of 315.27 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
PubChem CID122145663
Molecular FormulaC14H13F4N3O
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC Name2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
SMILESCC(CNC(=O)c1c(F)c(F)cc(F)c1F)Cn1ccnc1
InChIInChI=1S/C14H13F4N3O/c1-8(6-21-3-2-19-7-21)5-20-14(22)11-12(17)9(15)4-10(16)13(11)18/h2-4,7-8H,5-6H2,1H3,(H,20,22)
InChIKeyRCXWTAWBPCSZGO-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(3-imidazol-1-yl-2-methylpropyl)-4-nitrobenzamide
CID 71981977
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
1-[2-fluoro-6-[[(2S)-3-imidazol-1-yl-2-methylpropyl]amino]phenyl]ethanone
CID 97119048
2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
CID 96570316
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
CID 71865171
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-5-methylsulfanyl-2-nitrobenzamide
CID 95774697
2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119859064
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide (CID 122145663) is 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide is CC(CNC(=O)c1c(F)c(F)cc(F)c1F)Cn1ccnc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide?
The InChIKey is RCXWTAWBPCSZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O/c1-8(6-21-3-2-19-7-21)5-20-14(22)11-12(17)9(15)4-10(16)13(11)18/h2-4,7-8H,5-6H2,1H3,(H,20,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide?
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide has a molecular weight of 315.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide is sourced from PubChem (CID 122145663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).