N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

C15H18ClN3O — CID 79098536

IUPACN-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyCYXOJAWGCZYVAJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.06
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide

N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79098536) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79098536
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCNC(C)c1ccn(CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20)
InChIKeyCYXOJAWGCZYVAJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79108513
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
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N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
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2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
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CID 2070988
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
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CID 22197633

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide (CID 79098536) is N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is CNC(C)c1ccn(CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is CYXOJAWGCZYVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(17-2)12-7-8-19(9-12)10-15(20)18-14-6-4-3-5-13(14)16/h3-9,11,17H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79098536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).