[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone

C23H22ClNO3 — CID 53306857

IUPAC[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CC(C(=O)N2CCOCC2)=C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO3/c24-19-8-6-16(7-9-19)20-14-18(23(27)25-10-12-28-13-11-25)15-21(20)22(26)17-4-2-1-3-5-17/h1-9,14,20-21H,10-13,15H2/t20-,21+/m1/s1
InChIKeyCLNQBRIZEGEPHW-RTWAWAEBSA-N
MW395.89 g/mol
LogP4.11
Rot. Bonds4

About [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone

[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone (PubChem CID 53306857) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone
PubChem CID53306857
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CC(C(=O)N2CCOCC2)=C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO3/c24-19-8-6-16(7-9-19)20-14-18(23(27)25-10-12-28-13-11-25)15-21(20)22(26)17-4-2-1-3-5-17/h1-9,14,20-21H,10-13,15H2/t20-,21+/m1/s1
InChIKeyCLNQBRIZEGEPHW-RTWAWAEBSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565
[4-benzoyl-5-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-phenylmethanone
CID 3535886
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58305353
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
CID 6372943
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone?
The IUPAC name of [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone (CID 53306857) is [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone.
What is the SMILES notation for [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone?
The canonical SMILES for [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1CC(C(=O)N2CCOCC2)=C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone?
The InChIKey is CLNQBRIZEGEPHW-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H22ClNO3/c24-19-8-6-16(7-9-19)20-14-18(23(27)25-10-12-28-13-11-25)15-21(20)22(26)17-4-2-1-3-5-17/h1-9,14,20-21H,10-13,15H2/t20-,21+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone?
[(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone has a molecular weight of 395.89 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)cyclopent-3-en-1-yl]-phenylmethanone is sourced from PubChem (CID 53306857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).