[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone

C20H20ClNO — CID 11595023

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1c1ccccc1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO/c21-17-10-8-16(9-11-17)20(12-13-20)19(23)22-14-4-7-18(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2
InChIKeyMGFIAQUDEDEXGA-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.74
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 11595023) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID11595023
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1c1ccccc1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO/c21-17-10-8-16(9-11-17)20(12-13-20)19(23)22-14-4-7-18(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2
InChIKeyMGFIAQUDEDEXGA-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
Spiro-carboxamide scaffold, 2
CID 44143288
Spiro-carboxamide scaffold, 3
CID 44143289
Spiro-carboxamide scaffold, 5
CID 44143291
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
8-[1-(4-Chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11223982
1,3,3a,4,5,9b-Hexahydrobenzo[e]isoindol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 11544850

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone (CID 11595023) is [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone is O=C(N1CCCC1c1ccccc1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is MGFIAQUDEDEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-17-10-8-16(9-11-17)20(12-13-20)19(23)22-14-4-7-18(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 325.84 g/mol, XLogP of 4.74, 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]-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 11595023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).