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

C20H18ClNO — CID 66662142

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(N1CC=C(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-10H,11-14H2
InChIKeyFOTMZACPZOKYCD-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.30
Rot. Bonds3

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

[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 66662142) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID66662142
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(N1CC=C(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-10H,11-14H2
InChIKeyFOTMZACPZOKYCD-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 66662142) is [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is O=C(N1CC=C(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is FOTMZACPZOKYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-10H,11-14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 323.82 g/mol, XLogP of 4.30, 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-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 66662142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).