N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

C20H21ClN2O — CID 4974066

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H21ClN2O/c1-14-2-4-15(5-3-14)6-9-20(24)22-11-10-16-13-23-19-8-7-17(21)12-18(16)19/h2-5,7-8,12-13,23H,6,9-11H2,1H3,(H,22,24)
InChIKeyPLUSCGCIOISCQG-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 4974066) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID4974066
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H21ClN2O/c1-14-2-4-15(5-3-14)6-9-20(24)22-11-10-16-13-23-19-8-7-17(21)12-18(16)19/h2-5,7-8,12-13,23H,6,9-11H2,1H3,(H,22,24)
InChIKeyPLUSCGCIOISCQG-UHFFFAOYSA-N
XLogP4.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 4973985
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 66832036
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea
CID 17272253
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 4974066) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is PLUSCGCIOISCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-14-2-4-15(5-3-14)6-9-20(24)22-11-10-16-13-23-19-8-7-17(21)12-18(16)19/h2-5,7-8,12-13,23H,6,9-11H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 340.85 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 4974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).