2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide

C16H14Cl2FN3O — CID 123573195

IUPAC2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide
SMILESCC(Cl)C(=O)NC1=CCC(Cl)N=C1c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H14Cl2FN3O/c1-8(17)16(23)21-12-5-6-14(18)22-15(12)13-7-9-10(19)3-2-4-11(9)20-13/h2-5,7-8,14,20H,6H2,1H3,(H,21,23)
InChIKeyRXPYQOUEKIYEKD-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide

2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 123573195) has the molecular formula C16H14Cl2FN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide
PubChem CID123573195
Molecular FormulaC16H14Cl2FN3O
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide
SMILESCC(Cl)C(=O)NC1=CCC(Cl)N=C1c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H14Cl2FN3O/c1-8(17)16(23)21-12-5-6-14(18)22-15(12)13-7-9-10(19)3-2-4-11(9)20-13/h2-5,7-8,14,20H,6H2,1H3,(H,21,23)
InChIKeyRXPYQOUEKIYEKD-UHFFFAOYSA-N
XLogP3.69
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide (CID 123573195) is 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide is CC(Cl)C(=O)NC1=CCC(Cl)N=C1c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is RXPYQOUEKIYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O/c1-8(17)16(23)21-12-5-6-14(18)22-15(12)13-7-9-10(19)3-2-4-11(9)20-13/h2-5,7-8,14,20H,6H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide?
2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 354.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-6-(4-fluoro-1H-indol-2-yl)-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 123573195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).