N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide

C16H20ClN3O — CID 79108513

IUPACN-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCNC(C)c1cccn1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-18-12(2)15-9-6-10-20(15)11-16(21)19-14-8-5-4-7-13(14)17/h4-10,12,18H,3,11H2,1-2H3,(H,19,21)
InChIKeySWOLZBFNCJBPLM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.45
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide

N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79108513) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79108513
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCNC(C)c1cccn1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-18-12(2)15-9-6-10-20(15)11-16(21)19-14-8-5-4-7-13(14)17/h4-10,12,18H,3,11H2,1-2H3,(H,19,21)
InChIKeySWOLZBFNCJBPLM-UHFFFAOYSA-N
XLogP3.45
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide
CID 66408399
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
CID 3157256
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
CID 79619831
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide (CID 79108513) is N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide is CCNC(C)c1cccn1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is SWOLZBFNCJBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-18-12(2)15-9-6-10-20(15)11-16(21)19-14-8-5-4-7-13(14)17/h4-10,12,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 305.81 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79108513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).