N-(2-fluorophenyl)-N-phenylcarbamoyl chloride

C13H9ClFNO — CID 54022555

IUPACN-(2-fluorophenyl)-N-phenylcarbamoyl chloride
SMILESO=C(Cl)N(c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H9ClFNO/c14-13(17)16(10-6-2-1-3-7-10)12-9-5-4-8-11(12)15/h1-9H
InChIKeyKZXYOFXYERBQSJ-UHFFFAOYSA-N
MW249.67 g/mol
LogP4.32
Rot. Bonds2

About N-(2-fluorophenyl)-N-phenylcarbamoyl chloride

N-(2-fluorophenyl)-N-phenylcarbamoyl chloride (PubChem CID 54022555) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-phenylcarbamoyl chloride
PubChem CID54022555
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC NameN-(2-fluorophenyl)-N-phenylcarbamoyl chloride
SMILESO=C(Cl)N(c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H9ClFNO/c14-13(17)16(10-6-2-1-3-7-10)12-9-5-4-8-11(12)15/h1-9H
InChIKeyKZXYOFXYERBQSJ-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-1-phenylurea
CID 150840267
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
1,1-bis(2-fluorophenyl)thiourea
CID 174710543
1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea
CID 88614425
cobalt;bis(diphenylcarbamic acid)
CID 155679078
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
N-phenyl-N-(3,4,5-trifluorophenyl)carbamate
CID 156594025
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
1,1-diphenylurea
CID 174849888

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-phenylcarbamoyl chloride?
The IUPAC name of N-(2-fluorophenyl)-N-phenylcarbamoyl chloride (CID 54022555) is N-(2-fluorophenyl)-N-phenylcarbamoyl chloride.
What is the SMILES notation for N-(2-fluorophenyl)-N-phenylcarbamoyl chloride?
The canonical SMILES for N-(2-fluorophenyl)-N-phenylcarbamoyl chloride is O=C(Cl)N(c1ccccc1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-phenylcarbamoyl chloride?
The InChIKey is KZXYOFXYERBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-13(17)16(10-6-2-1-3-7-10)12-9-5-4-8-11(12)15/h1-9H.
What are the key properties of N-(2-fluorophenyl)-N-phenylcarbamoyl chloride?
N-(2-fluorophenyl)-N-phenylcarbamoyl chloride has a molecular weight of 249.67 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-phenylcarbamoyl chloride is sourced from PubChem (CID 54022555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).