4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide

C18H15F2N3O2 — CID 99630422

IUPAC4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ncc[nH]1
InChIInChI=1S/C18H15F2N3O2/c1-2-23(18-21-9-10-22-18)17(24)12-3-5-13(6-4-12)25-14-7-8-15(19)16(20)11-14/h3-11H,2H2,1H3,(H,21,22)
InChIKeyNBPPRNPRCLSAJN-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.15
Rot. Bonds5

About 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide

4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide (PubChem CID 99630422) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
PubChem CID99630422
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ncc[nH]1
InChIInChI=1S/C18H15F2N3O2/c1-2-23(18-21-9-10-22-18)17(24)12-3-5-13(6-4-12)25-14-7-8-15(19)16(20)11-14/h3-11H,2H2,1H3,(H,21,22)
InChIKeyNBPPRNPRCLSAJN-UHFFFAOYSA-N
XLogP4.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111758314
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
(3,4-difluorophenyl)-(1H-imidazol-2-yl)methanone
CID 112731511
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,4-difluorobenzamide
CID 43960478
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
3-[5-(3,4-difluorophenoxy)-2-pyridinyl]-1-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]urea
CID 156737902
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide (CID 99630422) is 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide is CCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ncc[nH]1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is NBPPRNPRCLSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-2-23(18-21-9-10-22-18)17(24)12-3-5-13(6-4-12)25-14-7-8-15(19)16(20)11-14/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide?
4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 343.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 99630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).