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

C16H12Cl2FN3O — CID 90333487

IUPAC3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide
SMILESO=C(CCCl)Nc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H12Cl2FN3O/c17-7-6-15(23)21-12-4-5-14(18)22-16(12)13-8-9-10(19)2-1-3-11(9)20-13/h1-5,8,20H,6-7H2,(H,21,23)
InChIKeyKOPIJQNTCDMDGS-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.59
Rot. Bonds4

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

3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide (PubChem CID 90333487) has the molecular formula C16H12Cl2FN3O and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide
PubChem CID90333487
Molecular FormulaC16H12Cl2FN3O
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide
SMILESO=C(CCCl)Nc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H12Cl2FN3O/c17-7-6-15(23)21-12-4-5-14(18)22-16(12)13-8-9-10(19)2-1-3-11(9)20-13/h1-5,8,20H,6-7H2,(H,21,23)
InChIKeyKOPIJQNTCDMDGS-UHFFFAOYSA-N
XLogP4.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide (CID 90333487) is 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide is O=C(CCCl)Nc1ccc(Cl)nc1-c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide?
The InChIKey is KOPIJQNTCDMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O/c17-7-6-15(23)21-12-4-5-14(18)22-16(12)13-8-9-10(19)2-1-3-11(9)20-13/h1-5,8,20H,6-7H2,(H,21,23).
What are the key properties of 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide?
3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide has a molecular weight of 352.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-chloro-2-(4-fluoro-1H-indol-2-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 90333487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).