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

C18H14ClFIN3O — CID 55685694

IUPAC4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Cl)cc1I)c1cccc(F)c1
InChIInChI=1S/C18H14ClFIN3O/c1-24-8-7-22-17(24)16(11-3-2-4-13(20)9-11)23-18(25)14-6-5-12(19)10-15(14)21/h2-10,16H,1H3,(H,23,25)
InChIKeyWYPVDOALKIZECX-UHFFFAOYSA-N
MW469.69 g/mol
LogP4.34
Rot. Bonds4

About 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide

4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide (PubChem CID 55685694) has the molecular formula C18H14ClFIN3O and a molecular weight of 469.69 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
PubChem CID55685694
Molecular FormulaC18H14ClFIN3O
Molecular Weight469.69 g/mol
Exact Mass468.99
IUPAC Name4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Cl)cc1I)c1cccc(F)c1
InChIInChI=1S/C18H14ClFIN3O/c1-24-8-7-22-17(24)16(11-3-2-4-13(20)9-11)23-18(25)14-6-5-12(19)10-15(14)21/h2-10,16H,1H3,(H,23,25)
InChIKeyWYPVDOALKIZECX-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
1-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24649483
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
5-chloro-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25389631
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
(E)-3-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24529708

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide (CID 55685694) is 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide is Cn1ccnc1C(NC(=O)c1ccc(Cl)cc1I)c1cccc(F)c1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide?
The InChIKey is WYPVDOALKIZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFIN3O/c1-24-8-7-22-17(24)16(11-3-2-4-13(20)9-11)23-18(25)14-6-5-12(19)10-15(14)21/h2-10,16H,1H3,(H,23,25).
What are the key properties of 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide?
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide has a molecular weight of 469.69 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide is sourced from PubChem (CID 55685694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).