N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide

C18H18ClN3O2 — CID 141490253

IUPACN-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide
SMILESCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-9-24-22-12-13(14-5-3-4-6-17(14)22)10-18(23)21-16-7-8-20-11-15(16)19/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,23)
InChIKeyGXILPORWLFNGHC-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.71
Rot. Bonds6

About N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide

N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide (PubChem CID 141490253) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide
PubChem CID141490253
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide
SMILESCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-9-24-22-12-13(14-5-3-4-6-17(14)22)10-18(23)21-16-7-8-20-11-15(16)19/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,23)
InChIKeyGXILPORWLFNGHC-UHFFFAOYSA-N
XLogP3.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide (CID 141490253) is N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide is CCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide?
The InChIKey is GXILPORWLFNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-2-9-24-22-12-13(14-5-3-4-6-17(14)22)10-18(23)21-16-7-8-20-11-15(16)19/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,23).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide?
N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide is sourced from PubChem (CID 141490253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).