[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C23H24ClFN2O4 — CID 92900456

IUPAC[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(OC[C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H24ClFN2O4/c24-21-14-17(25)5-8-20(21)23(29)27-9-1-2-18(27)15-31-19-6-3-16(4-7-19)22(28)26-10-12-30-13-11-26/h3-8,14,18H,1-2,9-13,15H2/t18-/m1/s1
InChIKeyGMGWVQDXRGXANP-GOSISDBHSA-N
MW446.91 g/mol
LogP3.64
Rot. Bonds5

About [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 92900456) has the molecular formula C23H24ClFN2O4 and a molecular weight of 446.91 g/mol. Its IUPAC name is [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID92900456
Molecular FormulaC23H24ClFN2O4
Molecular Weight446.91 g/mol
Exact Mass446.14
IUPAC Name[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(OC[C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H24ClFN2O4/c24-21-14-17(25)5-8-20(21)23(29)27-9-1-2-18(27)15-31-19-6-3-16(4-7-19)22(28)26-10-12-30-13-11-26/h3-8,14,18H,1-2,9-13,15H2/t18-/m1/s1
InChIKeyGMGWVQDXRGXANP-GOSISDBHSA-N
XLogP3.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339439
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
[4-[[1-(3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339935
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
CID 163339484
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339877
[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339902
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339973

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 92900456) is [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(OC[C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1)N1CCOCC1.
What is the InChIKey of [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is GMGWVQDXRGXANP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24ClFN2O4/c24-21-14-17(25)5-8-20(21)23(29)27-9-1-2-18(27)15-31-19-6-3-16(4-7-19)22(28)26-10-12-30-13-11-26/h3-8,14,18H,1-2,9-13,15H2/t18-/m1/s1.
What are the key properties of [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 446.91 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92900456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).