2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide

C17H18N2O2 — CID 79107992

IUPAC2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)C3CC3)c2)c1
InChIInChI=1S/C17H18N2O2/c1-12-3-2-4-15(9-12)18-16(20)11-19-8-7-14(10-19)17(21)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,20)
InChIKeyHNVPNZFXSXJJTH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.03
Rot. Bonds5

About 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 79107992) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID79107992
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(=O)C3CC3)c2)c1
InChIInChI=1S/C17H18N2O2/c1-12-3-2-4-15(9-12)18-16(20)11-19-8-7-14(10-19)17(21)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,20)
InChIKeyHNVPNZFXSXJJTH-UHFFFAOYSA-N
XLogP3.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79109983
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
CID 171327777
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
CID 79090031
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (CID 79107992) is 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccc(C(=O)C3CC3)c2)c1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is HNVPNZFXSXJJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-3-2-4-15(9-12)18-16(20)11-19-8-7-14(10-19)17(21)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,20).
What are the key properties of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 79107992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).