2,2-bis(4-fluorophenyl)butanediamide

C16H14F2N2O2 — CID 11358598

IUPAC2,2-bis(4-fluorophenyl)butanediamide
SMILESNC(=O)CC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-12-5-1-10(2-6-12)16(15(20)22,9-14(19)21)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,21)(H2,20,22)
InChIKeyVGDKFJSHDSRKQR-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.61
Rot. Bonds5

About 2,2-bis(4-fluorophenyl)butanediamide

2,2-bis(4-fluorophenyl)butanediamide (PubChem CID 11358598) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)butanediamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)butanediamide
PubChem CID11358598
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name2,2-bis(4-fluorophenyl)butanediamide
SMILESNC(=O)CC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-12-5-1-10(2-6-12)16(15(20)22,9-14(19)21)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,21)(H2,20,22)
InChIKeyVGDKFJSHDSRKQR-UHFFFAOYSA-N
XLogP1.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)butanediamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)butanediamide (CID 11358598) is 2,2-bis(4-fluorophenyl)butanediamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)butanediamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)butanediamide is NC(=O)CC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)butanediamide?
The InChIKey is VGDKFJSHDSRKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-12-5-1-10(2-6-12)16(15(20)22,9-14(19)21)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,21)(H2,20,22).
What are the key properties of 2,2-bis(4-fluorophenyl)butanediamide?
2,2-bis(4-fluorophenyl)butanediamide has a molecular weight of 304.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)butanediamide is sourced from PubChem (CID 11358598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).