SRFVVFREQCXGLC-UHFFFAOYSA-N

C₂₁H₂₁F₃N₄O₃S — CID 151893523

About SRFVVFREQCXGLC-UHFFFAOYSA-N

SRFVVFREQCXGLC-UHFFFAOYSA-N (PubChem CID 151893523) has the molecular formula C₂₁H₂₁F₃N₄O₃S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide.

Molecular Properties

• Compound Name: SRFVVFREQCXGLC-UHFFFAOYSA-N
• PubChem CID: 151893523
• Molecular Formula: C₂₁H₂₁F₃N₄O₃S
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.13
• IUPAC Name: N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
• SMILES: O=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCSCC2)c2ccccc2)c(F)c1
• InChI: InChI=1S/C21H21F3N4O3S/c22-17-12-14(19(29)25-26-20(30)18(23)24)6-7-15(17)13-28(16-4-2-1-3-5-16)21(31)27-8-10-32-11-9-27/h1-7,12,18H,8-11,13H2,(H,25,29)(H,26,30)
• InChIKey: SRFVVFREQCXGLC-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of SRFVVFREQCXGLC-UHFFFAOYSA-N?

The IUPAC name of SRFVVFREQCXGLC-UHFFFAOYSA-N (CID 151893523) is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide.

What is the SMILES notation for SRFVVFREQCXGLC-UHFFFAOYSA-N?

The canonical SMILES for SRFVVFREQCXGLC-UHFFFAOYSA-N is O=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCSCC2)c2ccccc2)c(F)c1.

What is the InChIKey of SRFVVFREQCXGLC-UHFFFAOYSA-N?

The InChIKey is SRFVVFREQCXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S/c22-17-12-14(19(29)25-26-20(30)18(23)24)6-7-15(17)13-28(16-4-2-1-3-5-16)21(31)27-8-10-32-11-9-27/h1-7,12,18H,8-11,13H2,(H,25,29)(H,26,30).

What are the key properties of SRFVVFREQCXGLC-UHFFFAOYSA-N?

SRFVVFREQCXGLC-UHFFFAOYSA-N has a molecular weight of 466.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for SRFVVFREQCXGLC-UHFFFAOYSA-N is sourced from PubChem (CID 151893523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151893523 — identifiers, structure, computed properties (public domain)

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