2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C18H15ClFN3O — CID 47014672

IUPAC2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C18H15ClFN3O/c1-23-10-9-21-17(23)16(12-5-4-6-13(20)11-12)22-18(24)14-7-2-3-8-15(14)19/h2-11,16H,1H3,(H,22,24)
InChIKeyALTKAXFQJJIXJL-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 47014672) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID47014672
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C18H15ClFN3O/c1-23-10-9-21-17(23)16(12-5-4-6-13(20)11-12)22-18(24)14-7-2-3-8-15(14)19/h2-11,16H,1H3,(H,22,24)
InChIKeyALTKAXFQJJIXJL-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 42923150
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
7-fluoro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-3-carboxamide
CID 46808458
1-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24649483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 47014672) is 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1C(NC(=O)c1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is ALTKAXFQJJIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-23-10-9-21-17(23)16(12-5-4-6-13(20)11-12)22-18(24)14-7-2-3-8-15(14)19/h2-11,16H,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 343.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 47014672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).