[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone

C19H17Cl2NO2 — CID 1484785

IUPAC[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone
SMILESCN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17Cl2NO2/c1-22-10-16(18(23)12-2-6-14(20)7-3-12)17(11-22)19(24)13-4-8-15(21)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+
InChIKeyYIDXBWFTQDFDLB-CALCHBBNSA-N
MW362.26 g/mol
LogP4.24
Rot. Bonds4

About [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone

[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 1484785) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone
PubChem CID1484785
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone
SMILESCN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17Cl2NO2/c1-22-10-16(18(23)12-2-6-14(20)7-3-12)17(11-22)19(24)13-4-8-15(21)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+
InChIKeyYIDXBWFTQDFDLB-CALCHBBNSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone (CID 1484785) is [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone is CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is YIDXBWFTQDFDLB-CALCHBBNSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c1-22-10-16(18(23)12-2-6-14(20)7-3-12)17(11-22)19(24)13-4-8-15(21)9-5-13/h2-9,16-17H,10-11H2,1H3/t16-,17+.
What are the key properties of [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone?
[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 362.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 1484785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).