(4-bromo-3-fluoro-2-iodophenyl)carbamic acid

C7H4BrFINO2 — CID 23000113

IUPAC(4-bromo-3-fluoro-2-iodophenyl)carbamic acid
SMILESO=C(O)Nc1ccc(Br)c(F)c1I
InChIInChI=1S/C7H4BrFINO2/c8-3-1-2-4(11-7(12)13)6(10)5(3)9/h1-2,11H,(H,12,13)
InChIKeyNNSLBKJCRYYRAM-UHFFFAOYSA-N
MW359.92 g/mol
LogP3.28
Rot. Bonds1

About (4-bromo-3-fluoro-2-iodophenyl)carbamic acid

(4-bromo-3-fluoro-2-iodophenyl)carbamic acid (PubChem CID 23000113) has the molecular formula C7H4BrFINO2 and a molecular weight of 359.92 g/mol. Its IUPAC name is (4-bromo-3-fluoro-2-iodophenyl)carbamic acid.

Molecular Properties

Compound Name(4-bromo-3-fluoro-2-iodophenyl)carbamic acid
PubChem CID23000113
Molecular FormulaC7H4BrFINO2
Molecular Weight359.92 g/mol
Exact Mass358.85
IUPAC Name(4-bromo-3-fluoro-2-iodophenyl)carbamic acid
SMILESO=C(O)Nc1ccc(Br)c(F)c1I
InChIInChI=1S/C7H4BrFINO2/c8-3-1-2-4(11-7(12)13)6(10)5(3)9/h1-2,11H,(H,12,13)
InChIKeyNNSLBKJCRYYRAM-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid
CID 146176434
(3-bromo-6-chloro-2-fluorophenyl)carbamic acid
CID 18451550
(2-bromophenyl)carbamic acid
CID 15021878
(3-chloro-2-iodophenyl)carbamic acid
CID 122610663
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373
1-(4-bromo-2,3-difluorophenyl)-3-ethylurea
CID 66687850
3-bromo-2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 130755266
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluoro-2-iodophenyl)carbamic acid?
The IUPAC name of (4-bromo-3-fluoro-2-iodophenyl)carbamic acid (CID 23000113) is (4-bromo-3-fluoro-2-iodophenyl)carbamic acid.
What is the SMILES notation for (4-bromo-3-fluoro-2-iodophenyl)carbamic acid?
The canonical SMILES for (4-bromo-3-fluoro-2-iodophenyl)carbamic acid is O=C(O)Nc1ccc(Br)c(F)c1I.
What is the InChIKey of (4-bromo-3-fluoro-2-iodophenyl)carbamic acid?
The InChIKey is NNSLBKJCRYYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFINO2/c8-3-1-2-4(11-7(12)13)6(10)5(3)9/h1-2,11H,(H,12,13).
What are the key properties of (4-bromo-3-fluoro-2-iodophenyl)carbamic acid?
(4-bromo-3-fluoro-2-iodophenyl)carbamic acid has a molecular weight of 359.92 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluoro-2-iodophenyl)carbamic acid is sourced from PubChem (CID 23000113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).