2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide

C13H12F3N3O — CID 110666512

IUPAC2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(F)c(F)c2F)[nH]1
InChIInChI=1S/C13H12F3N3O/c1-7-18-6-8(19-7)4-5-17-13(20)9-2-3-10(14)12(16)11(9)15/h2-3,6H,4-5H2,1H3,(H,17,20)(H,18,19)
InChIKeyKCABLYPHDMXIJE-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.11
Rot. Bonds4

About 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 110666512) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID110666512
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(F)c(F)c2F)[nH]1
InChIInChI=1S/C13H12F3N3O/c1-7-18-6-8(19-7)4-5-17-13(20)9-2-3-10(14)12(16)11(9)15/h2-3,6H,4-5H2,1H3,(H,17,20)(H,18,19)
InChIKeyKCABLYPHDMXIJE-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
CID 110666460
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110718765
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 113101359
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110711165

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (CID 110666512) is 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is Cc1ncc(CCNC(=O)c2ccc(F)c(F)c2F)[nH]1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is KCABLYPHDMXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-18-6-8(19-7)4-5-17-13(20)9-2-3-10(14)12(16)11(9)15/h2-3,6H,4-5H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 283.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110666512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).