N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

C18H14Cl2FN3O2S — CID 67947833

IUPACN-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C18H13ClFN3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-9H,10H2,(H,21,22)(H,23,24);1H
InChIKeyOMUGGNAYTGZEBS-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.59
Rot. Bonds6

About N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (PubChem CID 67947833) has the molecular formula C18H14Cl2FN3O2S and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
PubChem CID67947833
Molecular FormulaC18H14Cl2FN3O2S
Molecular Weight426.30 g/mol
Exact Mass425.02
IUPAC NameN-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C18H13ClFN3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-9H,10H2,(H,21,22)(H,23,24);1H
InChIKeyOMUGGNAYTGZEBS-UHFFFAOYSA-N
XLogP4.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 67947834
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 3080475
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3950814
N-(4-chloro-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 743539
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 135516370
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phenylthiourea
CID 4120115
N-(2-benzoyl-4-chlorophenyl)-1H-imidazole-2-carboxamide
CID 56978904
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5155089
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
CID 75437642

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (CID 67947833) is N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is Cl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The InChIKey is OMUGGNAYTGZEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-9H,10H2,(H,21,22)(H,23,24);1H.
What are the key properties of N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride has a molecular weight of 426.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 67947833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).