chloromethane;4-fluorobenzamide

C8H9ClFNO — CID 158476805

IUPACchloromethane;4-fluorobenzamide
SMILESCCl.NC(=O)c1ccc(F)cc1
InChIInChI=1S/C7H6FNO.CH3Cl/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H2,9,10);1H3
InChIKeyHHASDYAGENKKKA-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.78
Rot. Bonds1

About chloromethane;4-fluorobenzamide

chloromethane;4-fluorobenzamide (PubChem CID 158476805) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is chloromethane;4-fluorobenzamide.

Molecular Properties

Compound Namechloromethane;4-fluorobenzamide
PubChem CID158476805
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Namechloromethane;4-fluorobenzamide
SMILESCCl.NC(=O)c1ccc(F)cc1
InChIInChI=1S/C7H6FNO.CH3Cl/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H2,9,10);1H3
InChIKeyHHASDYAGENKKKA-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)benzamide
CID 22142233
(E)-but-2-enedioic acid;4-fluorobenzamide
CID 69010186
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
fluorobenzene;4-methylsulfanylbenzamide
CID 143044718
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266

Frequently Asked Questions

What is the IUPAC name of chloromethane;4-fluorobenzamide?
The IUPAC name of chloromethane;4-fluorobenzamide (CID 158476805) is chloromethane;4-fluorobenzamide.
What is the SMILES notation for chloromethane;4-fluorobenzamide?
The canonical SMILES for chloromethane;4-fluorobenzamide is CCl.NC(=O)c1ccc(F)cc1.
What is the InChIKey of chloromethane;4-fluorobenzamide?
The InChIKey is HHASDYAGENKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO.CH3Cl/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,(H2,9,10);1H3.
What are the key properties of chloromethane;4-fluorobenzamide?
chloromethane;4-fluorobenzamide has a molecular weight of 189.62 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;4-fluorobenzamide is sourced from PubChem (CID 158476805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).