[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone

C21H20ClNO — CID 66661949

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ccccc1C1=CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H20ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-10H,11-14H2,1H3
InChIKeyLDMAVGGLVHWRKI-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.61
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 66661949) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID66661949
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ccccc1C1=CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H20ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-10H,11-14H2,1H3
InChIKeyLDMAVGGLVHWRKI-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone (CID 66661949) is [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone is Cc1ccccc1C1=CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is LDMAVGGLVHWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-10H,11-14H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 337.85 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 66661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).