3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C9H6F5N3O2 — CID 115564784

IUPAC3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESNC(CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)=NO
InChIInChI=1S/C9H6F5N3O2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3(18)1-2(15)17-19/h19H,1H2,(H2,15,17)(H,16,18)
InChIKeyDHKJWFAGZZECKO-UHFFFAOYSA-N
MW283.16 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide

3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 115564784) has the molecular formula C9H6F5N3O2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID115564784
Molecular FormulaC9H6F5N3O2
Molecular Weight283.16 g/mol
Exact Mass283.04
IUPAC Name3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESNC(CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)=NO
InChIInChI=1S/C9H6F5N3O2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3(18)1-2(15)17-19/h19H,1H2,(H2,15,17)(H,16,18)
InChIKeyDHKJWFAGZZECKO-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 115564784) is 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide is NC(CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is DHKJWFAGZZECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3O2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3(18)1-2(15)17-19/h19H,1H2,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 283.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 115564784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).