4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene

C31H23F10N3O3 — CID 143471609

About 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene

4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene (PubChem CID 143471609) has the molecular formula C31H23F10N3O3 and a molecular weight of 675.52 g/mol. Its IUPAC name is 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene.

Molecular Properties

• Compound Name: 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene
• PubChem CID: 143471609
• Molecular Formula: C31H23F10N3O3
• Molecular Weight: 675.52 g/mol
• Exact Mass: 675.16
• IUPAC Name: 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene
• SMILES: Cc1ccccc1.NNC(=O)c1cc([C@@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F
• InChI: InChI=1S/C24H15F10N3O3.C7H8/c25-13-5-12(6-14(9-13)40-24(33,34)22(28)29)19(10-1-3-17(26)15(7-10)21(39)37-35)36-20(38)11-2-4-18(27)16(8-11)23(30,31)32;1-7-5-3-2-4-6-7/h1-9,19,22H,35H2,(H,36,38)(H,37,39);2-6H,1H3/t19-;/m1./s1
• InChIKey: HHQQAKBAGDHVON-FSRHSHDFSA-N
• XLogP: 7.48
• TPSA: 93.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.52
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene?

The IUPAC name of 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene (CID 143471609) is 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene.

What is the SMILES notation for 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene?

The canonical SMILES for 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene is Cc1ccccc1.NNC(=O)c1cc([C@@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.

What is the InChIKey of 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene?

The InChIKey is HHQQAKBAGDHVON-FSRHSHDFSA-N. The full InChI is InChI=1S/C24H15F10N3O3.C7H8/c25-13-5-12(6-14(9-13)40-24(33,34)22(28)29)19(10-1-3-17(26)15(7-10)21(39)37-35)36-20(38)11-2-4-18(27)16(8-11)23(30,31)32;1-7-5-3-2-4-6-7/h1-9,19,22H,35H2,(H,36,38)(H,37,39);2-6H,1H3/t19-;/m1./s1.

What are the key properties of 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene?

4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene has a molecular weight of 675.52 g/mol, XLogP of 7.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(R)-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)benzamide;toluene is sourced from PubChem (CID 143471609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).