N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide

C19H19ClN2O — CID 4782931

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-8-5-14(6-9-16)11-12-21-19(23)10-7-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12H2,(H,21,23)
InChIKeyDCZNGUMIZLEFRY-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 4782931) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID4782931
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-8-5-14(6-9-16)11-12-21-19(23)10-7-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12H2,(H,21,23)
InChIKeyDCZNGUMIZLEFRY-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 4782931) is N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is DCZNGUMIZLEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-16-8-5-14(6-9-16)11-12-21-19(23)10-7-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 326.83 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 4782931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).