N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide

C8H5F4IN5O- — CID 21191927

IUPACN-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide
SMILESCC(=O)Nc1c(F)c(F)c(F)c(F)c1NI.[N-]=[N+]=[N-]
InChIInChI=1S/C8H5F4IN2O.N3/c1-2(16)14-7-5(11)3(9)4(10)6(12)8(7)15-13;1-3-2/h15H,1H3,(H,14,16);/q;-1
InChIKeyBVGHYRQWNFWGMB-UHFFFAOYSA-N
MW390.06 g/mol
LogP3.83
Rot. Bonds2

About N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide

N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide (PubChem CID 21191927) has the molecular formula C8H5F4IN5O- and a molecular weight of 390.06 g/mol. Its IUPAC name is N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide.

Molecular Properties

Compound NameN-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide
PubChem CID21191927
Molecular FormulaC8H5F4IN5O-
Molecular Weight390.06 g/mol
Exact Mass389.95
IUPAC NameN-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide
SMILESCC(=O)Nc1c(F)c(F)c(F)c(F)c1NI.[N-]=[N+]=[N-]
InChIInChI=1S/C8H5F4IN2O.N3/c1-2(16)14-7-5(11)3(9)4(10)6(12)8(7)15-13;1-3-2/h15H,1H3,(H,14,16);/q;-1
InChIKeyBVGHYRQWNFWGMB-UHFFFAOYSA-N
XLogP3.83
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide?
The IUPAC name of N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide (CID 21191927) is N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide.
What is the SMILES notation for N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide?
The canonical SMILES for N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide is CC(=O)Nc1c(F)c(F)c(F)c(F)c1NI.[N-]=[N+]=[N-].
What is the InChIKey of N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide?
The InChIKey is BVGHYRQWNFWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4IN2O.N3/c1-2(16)14-7-5(11)3(9)4(10)6(12)8(7)15-13;1-3-2/h15H,1H3,(H,14,16);/q;-1.
What are the key properties of N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide?
N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide has a molecular weight of 390.06 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide is sourced from PubChem (CID 21191927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).