chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid

C32H35Cl2FN2O5 — CID 144688167

IUPACchlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid
SMILESCCCC(C(=O)N1CC(C(=O)O)C1)N1CCOC(Cc2ccc(F)cc2)C1=O.Clc1ccccc1.Clc1ccccc1
InChIInChI=1S/C20H25FN2O5.2C6H5Cl/c1-2-3-16(18(24)22-11-14(12-22)20(26)27)23-8-9-28-17(19(23)25)10-13-4-6-15(21)7-5-13;2*7-6-4-2-1-3-5-6/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,26,27);2*1-5H
InChIKeyQSNWWLIQTLKDPG-UHFFFAOYSA-N
MW617.55 g/mol
LogP5.99
Rot. Bonds7

About chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid

chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid (PubChem CID 144688167) has the molecular formula C32H35Cl2FN2O5 and a molecular weight of 617.55 g/mol. Its IUPAC name is chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Namechlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid
PubChem CID144688167
Molecular FormulaC32H35Cl2FN2O5
Molecular Weight617.55 g/mol
Exact Mass616.19
IUPAC Namechlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid
SMILESCCCC(C(=O)N1CC(C(=O)O)C1)N1CCOC(Cc2ccc(F)cc2)C1=O.Clc1ccccc1.Clc1ccccc1
InChIInChI=1S/C20H25FN2O5.2C6H5Cl/c1-2-3-16(18(24)22-11-14(12-22)20(26)27)23-8-9-28-17(19(23)25)10-13-4-6-15(21)7-5-13;2*7-6-4-2-1-3-5-6/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,26,27);2*1-5H
InChIKeyQSNWWLIQTLKDPG-UHFFFAOYSA-N
XLogP5.99
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.55
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chlorobenzene;2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanal
CID 144688289
chlorobenzene;1-chloro-4-methylbenzene;2-[2-[(4-cyanophenyl)methyl]-3-oxomorpholin-4-yl]pentanoic acid
CID 144688120
methyl 1-[(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylate
CID 118622935
methyl 1-[2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylate
CID 118622936
1-[2-[2-(4-aminophenyl)-6-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-5-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid
CID 123758704
(2S)-2-[(2R,3S,6R)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]-N-cyclopropylsulfonylpentanamide
CID 90357117
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
2-[2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanal
CID 123473411
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid?
The IUPAC name of chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid (CID 144688167) is chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid?
The canonical SMILES for chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid is CCCC(C(=O)N1CC(C(=O)O)C1)N1CCOC(Cc2ccc(F)cc2)C1=O.Clc1ccccc1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid?
The InChIKey is QSNWWLIQTLKDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5.2C6H5Cl/c1-2-3-16(18(24)22-11-14(12-22)20(26)27)23-8-9-28-17(19(23)25)10-13-4-6-15(21)7-5-13;2*7-6-4-2-1-3-5-6/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,26,27);2*1-5H.
What are the key properties of chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid?
chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid has a molecular weight of 617.55 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-[2-[2-[(4-fluorophenyl)methyl]-3-oxomorpholin-4-yl]pentanoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 144688167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).