3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide

C14H14ClFN2O3 — CID 79342061

IUPAC3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C14H14ClFN2O3/c1-7(2)17-12(19)3-4-18-11-6-10(16)9(15)5-8(11)13(20)14(18)21/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyNGBHYNYNLPZILR-UHFFFAOYSA-N
MW312.73 g/mol
LogP1.92
Rot. Bonds4

About 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide

3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 79342061) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide
PubChem CID79342061
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C14H14ClFN2O3/c1-7(2)17-12(19)3-4-18-11-6-10(16)9(15)5-8(11)13(20)14(18)21/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyNGBHYNYNLPZILR-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide (CID 79342061) is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is NGBHYNYNLPZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c1-7(2)17-12(19)3-4-18-11-6-10(16)9(15)5-8(11)13(20)14(18)21/h5-7H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide?
3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 312.73 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 79342061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).