N-(3-fluorophenyl)carbamoyl iodide

C7H5FINO — CID 143189904

IUPACN-(3-fluorophenyl)carbamoyl iodide
SMILESO=C(I)Nc1cccc(F)c1
InChIInChI=1S/C7H5FINO/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H,10,11)
InChIKeyQQALDQBZOLYLPY-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.79
Rot. Bonds1

About N-(3-fluorophenyl)carbamoyl iodide

N-(3-fluorophenyl)carbamoyl iodide (PubChem CID 143189904) has the molecular formula C7H5FINO and a molecular weight of 265.03 g/mol. Its IUPAC name is N-(3-fluorophenyl)carbamoyl iodide.

Molecular Properties

Compound NameN-(3-fluorophenyl)carbamoyl iodide
PubChem CID143189904
Molecular FormulaC7H5FINO
Molecular Weight265.03 g/mol
Exact Mass264.94
IUPAC NameN-(3-fluorophenyl)carbamoyl iodide
SMILESO=C(I)Nc1cccc(F)c1
InChIInChI=1S/C7H5FINO/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H,10,11)
InChIKeyQQALDQBZOLYLPY-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-(3-fluoroanilino)-4-oxobut-2-enoate
CID 4281248
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)carbamoyl iodide?
The IUPAC name of N-(3-fluorophenyl)carbamoyl iodide (CID 143189904) is N-(3-fluorophenyl)carbamoyl iodide.
What is the SMILES notation for N-(3-fluorophenyl)carbamoyl iodide?
The canonical SMILES for N-(3-fluorophenyl)carbamoyl iodide is O=C(I)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)carbamoyl iodide?
The InChIKey is QQALDQBZOLYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H,10,11).
What are the key properties of N-(3-fluorophenyl)carbamoyl iodide?
N-(3-fluorophenyl)carbamoyl iodide has a molecular weight of 265.03 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)carbamoyl iodide is sourced from PubChem (CID 143189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).