2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C18H15F2N3O — CID 17406821

IUPAC2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H15F2N3O/c1-23-10-9-21-17(23)16(12-5-3-2-4-6-12)22-18(24)14-8-7-13(19)11-15(14)20/h2-11,16H,1H3,(H,22,24)
InChIKeyXCKHVODQOWVKQK-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.22
Rot. Bonds4

About 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 17406821) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID17406821
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H15F2N3O/c1-23-10-9-21-17(23)16(12-5-3-2-4-6-12)22-18(24)14-8-7-13(19)11-15(14)20/h2-11,16H,1H3,(H,22,24)
InChIKeyXCKHVODQOWVKQK-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 24609771
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25345660
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595371
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 17406821) is 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1C(NC(=O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is XCKHVODQOWVKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-10-9-21-17(23)16(12-5-3-2-4-6-12)22-18(24)14-8-7-13(19)11-15(14)20/h2-11,16H,1H3,(H,22,24).
What are the key properties of 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 17406821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).