2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide

C25H29ClN4O2 — CID 42910705

IUPAC2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C25H29ClN4O2/c1-17(31)29-23(14-18-15-27-22-11-5-3-8-19(18)22)25(32)28-16-24(30-12-6-7-13-30)20-9-2-4-10-21(20)26/h2-5,8-11,15,23-24,27H,6-7,12-14,16H2,1H3,(H,28,32)(H,29,31)
InChIKeySWTHDSNCRDUPTK-UHFFFAOYSA-N
MW452.99 g/mol
LogP3.82
Rot. Bonds8

About 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 42910705) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID42910705
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C25H29ClN4O2/c1-17(31)29-23(14-18-15-27-22-11-5-3-8-19(18)22)25(32)28-16-24(30-12-6-7-13-30)20-9-2-4-10-21(20)26/h2-5,8-11,15,23-24,27H,6-7,12-14,16H2,1H3,(H,28,32)(H,29,31)
InChIKeySWTHDSNCRDUPTK-UHFFFAOYSA-N
XLogP3.82
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 31335078
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25478052
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide (CID 42910705) is 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is SWTHDSNCRDUPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-17(31)29-23(14-18-15-27-22-11-5-3-8-19(18)22)25(32)28-16-24(30-12-6-7-13-30)20-9-2-4-10-21(20)26/h2-5,8-11,15,23-24,27H,6-7,12-14,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 452.99 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).