N-butan-2-yl-2-(4-fluorophenyl)butanediamide

C14H19FN2O2 — CID 54760765

IUPACN-butan-2-yl-2-(4-fluorophenyl)butanediamide
SMILESCCC(C)NC(=O)C(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-9(2)17-14(19)12(8-13(16)18)10-4-6-11(15)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyICYWYJSAVWTOCK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds6

About N-butan-2-yl-2-(4-fluorophenyl)butanediamide

N-butan-2-yl-2-(4-fluorophenyl)butanediamide (PubChem CID 54760765) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-fluorophenyl)butanediamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-fluorophenyl)butanediamide
PubChem CID54760765
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-butan-2-yl-2-(4-fluorophenyl)butanediamide
SMILESCCC(C)NC(=O)C(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-9(2)17-14(19)12(8-13(16)18)10-4-6-11(15)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyICYWYJSAVWTOCK-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)butanediamide?
The IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)butanediamide (CID 54760765) is N-butan-2-yl-2-(4-fluorophenyl)butanediamide.
What is the SMILES notation for N-butan-2-yl-2-(4-fluorophenyl)butanediamide?
The canonical SMILES for N-butan-2-yl-2-(4-fluorophenyl)butanediamide is CCC(C)NC(=O)C(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-fluorophenyl)butanediamide?
The InChIKey is ICYWYJSAVWTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-9(2)17-14(19)12(8-13(16)18)10-4-6-11(15)7-5-10/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-butan-2-yl-2-(4-fluorophenyl)butanediamide?
N-butan-2-yl-2-(4-fluorophenyl)butanediamide has a molecular weight of 266.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-fluorophenyl)butanediamide is sourced from PubChem (CID 54760765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).