N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide

C8H3BrFIN2O — CID 168653635

IUPACN-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide
SMILESN#Cc1c(F)c(Br)cc(I)c1NC=O
InChIInChI=1S/C8H3BrFIN2O/c9-5-1-6(11)8(13-3-14)4(2-12)7(5)10/h1,3H,(H,13,14)
InChIKeyGDSWEIYPUQIYDF-UHFFFAOYSA-N
MW368.93 g/mol
LogP2.63
Rot. Bonds2

About N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide

N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide (PubChem CID 168653635) has the molecular formula C8H3BrFIN2O and a molecular weight of 368.93 g/mol. Its IUPAC name is N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide
PubChem CID168653635
Molecular FormulaC8H3BrFIN2O
Molecular Weight368.93 g/mol
Exact Mass367.85
IUPAC NameN-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide
SMILESN#Cc1c(F)c(Br)cc(I)c1NC=O
InChIInChI=1S/C8H3BrFIN2O/c9-5-1-6(11)8(13-3-14)4(2-12)7(5)10/h1,3H,(H,13,14)
InChIKeyGDSWEIYPUQIYDF-UHFFFAOYSA-N
XLogP2.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide?
The IUPAC name of N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide (CID 168653635) is N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide.
What is the SMILES notation for N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide?
The canonical SMILES for N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide is N#Cc1c(F)c(Br)cc(I)c1NC=O.
What is the InChIKey of N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide?
The InChIKey is GDSWEIYPUQIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFIN2O/c9-5-1-6(11)8(13-3-14)4(2-12)7(5)10/h1,3H,(H,13,14).
What are the key properties of N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide?
N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide has a molecular weight of 368.93 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyano-3-fluoro-6-iodophenyl)formamide is sourced from PubChem (CID 168653635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).