N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide

C17H14Cl2N2O — CID 84554858

IUPACN-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-13-5-3-6-14(17(13)19)20-16(22)9-11-21-10-8-12-4-1-2-7-15(12)21/h1-8,10H,9,11H2,(H,20,22)
InChIKeyABWUZMQOMSGVLF-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.98
Rot. Bonds4

About N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide

N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide (PubChem CID 84554858) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
PubChem CID84554858
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC NameN-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-13-5-3-6-14(17(13)19)20-16(22)9-11-21-10-8-12-4-1-2-7-15(12)21/h1-8,10H,9,11H2,(H,20,22)
InChIKeyABWUZMQOMSGVLF-UHFFFAOYSA-N
XLogP4.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55195314
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide (CID 84554858) is N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide?
The InChIKey is ABWUZMQOMSGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-13-5-3-6-14(17(13)19)20-16(22)9-11-21-10-8-12-4-1-2-7-15(12)21/h1-8,10H,9,11H2,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide?
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide has a molecular weight of 333.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 84554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).