[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C23H25ClN2O3 — CID 42681127

IUPAC[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1C1CN(C(=O)c2ccc(Cl)cc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-19(16)20-14-26(22(27)17-6-8-18(24)9-7-17)15-21(20)23(28)25-10-12-29-13-11-25/h2-9,20-21H,10-15H2,1H3
InChIKeyJVKUZOHVYOTJIY-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.36
Rot. Bonds3

About [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42681127) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42681127
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1C1CN(C(=O)c2ccc(Cl)cc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-19(16)20-14-26(22(27)17-6-8-18(24)9-7-17)15-21(20)23(28)25-10-12-29-13-11-25/h2-9,20-21H,10-15H2,1H3
InChIKeyJVKUZOHVYOTJIY-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42681127) is [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is Cc1ccccc1C1CN(C(=O)c2ccc(Cl)cc2)CC1C(=O)N1CCOCC1.
What is the InChIKey of [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is JVKUZOHVYOTJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-4-2-3-5-19(16)20-14-26(22(27)17-6-8-18(24)9-7-17)15-21(20)23(28)25-10-12-29-13-11-25/h2-9,20-21H,10-15H2,1H3.
What are the key properties of [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 412.92 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)-4-(2-methylphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42681127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).