4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide

C10H8F4N4O — CID 85470613

IUPAC4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C10H8F4N4O/c1-2-3-16-10(19)4-5(11)7(13)9(17-18-15)8(14)6(4)12/h2-3H2,1H3,(H,16,19)
InChIKeyZKWDXTFZWKUMLF-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.32
Rot. Bonds4

About 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide

4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide (PubChem CID 85470613) has the molecular formula C10H8F4N4O and a molecular weight of 276.19 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide
PubChem CID85470613
Molecular FormulaC10H8F4N4O
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C10H8F4N4O/c1-2-3-16-10(19)4-5(11)7(13)9(17-18-15)8(14)6(4)12/h2-3H2,1H3,(H,16,19)
InChIKeyZKWDXTFZWKUMLF-UHFFFAOYSA-N
XLogP3.32
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide (CID 85470613) is 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide is CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide?
The InChIKey is ZKWDXTFZWKUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4O/c1-2-3-16-10(19)4-5(11)7(13)9(17-18-15)8(14)6(4)12/h2-3H2,1H3,(H,16,19).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide?
4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide has a molecular weight of 276.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,3,5,6-tetrafluoro-N-propylbenzamide is sourced from PubChem (CID 85470613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).