N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide

C15H15ClN2O2 — CID 79098178

IUPACN-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyPXEUAFDOXMXVCO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.37
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide

N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide (PubChem CID 79098178) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
PubChem CID79098178
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyPXEUAFDOXMXVCO-UHFFFAOYSA-N
XLogP3.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloroanilino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103879
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
CID 79104858
2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
CID 79107153
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
2-[4-(aminomethyl)imidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106718057
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide (CID 79098178) is N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide is CCC(=O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The InChIKey is PXEUAFDOXMXVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide has a molecular weight of 290.75 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide is sourced from PubChem (CID 79098178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).