2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide

C19H18F6N8O4 — CID 54222094

IUPAC2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide
SMILESNNC(=O)c1ccccc1C(=O)N(N)C(N(N)C(=O)c1ccccc1C(=O)NN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H18F6N8O4/c20-18(21,22)17(19(23,24)25,32(28)15(36)11-7-3-1-5-9(11)13(34)30-26)33(29)16(37)12-8-4-2-6-10(12)14(35)31-27/h1-8H,26-29H2,(H,30,34)(H,31,35)
InChIKeyQDHULSMDIWDOLZ-UHFFFAOYSA-N
MW536.39 g/mol
LogP0.05
Rot. Bonds6

About 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide

2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide (PubChem CID 54222094) has the molecular formula C19H18F6N8O4 and a molecular weight of 536.39 g/mol. Its IUPAC name is 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide.

Molecular Properties

Compound Name2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide
PubChem CID54222094
Molecular FormulaC19H18F6N8O4
Molecular Weight536.39 g/mol
Exact Mass536.14
IUPAC Name2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide
SMILESNNC(=O)c1ccccc1C(=O)N(N)C(N(N)C(=O)c1ccccc1C(=O)NN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H18F6N8O4/c20-18(21,22)17(19(23,24)25,32(28)15(36)11-7-3-1-5-9(11)13(34)30-26)33(29)16(37)12-8-4-2-6-10(12)14(35)31-27/h1-8H,26-29H2,(H,30,34)(H,31,35)
InChIKeyQDHULSMDIWDOLZ-UHFFFAOYSA-N
XLogP0.05
TPSA202.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.39
LogP ≤ 50.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide?
The IUPAC name of 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide (CID 54222094) is 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide.
What is the SMILES notation for 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide?
The canonical SMILES for 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide is NNC(=O)c1ccccc1C(=O)N(N)C(N(N)C(=O)c1ccccc1C(=O)NN)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide?
The InChIKey is QDHULSMDIWDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N8O4/c20-18(21,22)17(19(23,24)25,32(28)15(36)11-7-3-1-5-9(11)13(34)30-26)33(29)16(37)12-8-4-2-6-10(12)14(35)31-27/h1-8H,26-29H2,(H,30,34)(H,31,35).
What are the key properties of 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide?
2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide has a molecular weight of 536.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide is sourced from PubChem (CID 54222094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).