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

C16H17ClN2O2 — CID 79108257

IUPACN-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
SMILESCC(C)C(=O)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(2)16(21)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(17)8-14/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyVSIDPDBXYHNYDG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide (PubChem CID 79108257) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
PubChem CID79108257
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
SMILESCC(C)C(=O)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(2)16(21)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(17)8-14/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyVSIDPDBXYHNYDG-UHFFFAOYSA-N
XLogP3.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
1-[2-(4-chloroanilino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103879
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79107992
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
CID 103961932
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide (CID 79108257) is N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide is CC(C)C(=O)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
The InChIKey is VSIDPDBXYHNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(2)16(21)12-6-7-19(9-12)10-15(20)18-14-5-3-4-13(17)8-14/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79108257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).