2-(4-fluorophenyl)butanediamide

C10H11FN2O2 — CID 69053213

IUPAC2-(4-fluorophenyl)butanediamide
SMILESNC(=O)CC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)
InChIKeyJQUIRZCNQGQRSM-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.27
Rot. Bonds4

About 2-(4-fluorophenyl)butanediamide

2-(4-fluorophenyl)butanediamide (PubChem CID 69053213) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)butanediamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)butanediamide
PubChem CID69053213
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-(4-fluorophenyl)butanediamide
SMILESNC(=O)CC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15)
InChIKeyJQUIRZCNQGQRSM-UHFFFAOYSA-N
XLogP0.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
(2S)-2-(4-fluorophenyl)butanedioate
CID 6926195
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
CID 158718442
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
CID 69414023
3-(4-fluorophenyl)-3-piperidin-1-ylpropanamide
CID 70303350
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)butanediamide?
The IUPAC name of 2-(4-fluorophenyl)butanediamide (CID 69053213) is 2-(4-fluorophenyl)butanediamide.
What is the SMILES notation for 2-(4-fluorophenyl)butanediamide?
The canonical SMILES for 2-(4-fluorophenyl)butanediamide is NC(=O)CC(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)butanediamide?
The InChIKey is JQUIRZCNQGQRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2,(H2,12,14)(H2,13,15).
What are the key properties of 2-(4-fluorophenyl)butanediamide?
2-(4-fluorophenyl)butanediamide has a molecular weight of 210.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)butanediamide is sourced from PubChem (CID 69053213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).