benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate

C17H14ClNO3 — CID 166438404

IUPACbenzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H14ClNO3/c18-14-8-6-13(7-9-14)15-10-19(16(15)20)17(21)22-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyMKRSSSOFGVJRKZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.60
Rot. Bonds3

About benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate

benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate (PubChem CID 166438404) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
PubChem CID166438404
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Namebenzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H14ClNO3/c18-14-8-6-13(7-9-14)15-10-19(16(15)20)17(21)22-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyMKRSSSOFGVJRKZ-UHFFFAOYSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(4-chlorophenyl)-6-methyl-1-[(1-methylazetidin-3-yl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694448
benzyl 4-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694361
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
[(3S)-2-oxo-1-phenylmethoxycarbonylazetidin-3-yl]azanium;2,2,2-trifluoroacetate
CID 10830525
benzyl 2-oxo-1,3-thiazolidine-3-carboxylate
CID 86013885
benzyl (5S)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-1,2-oxazolidine-2-carboxylate
CID 135007078
benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 59439531
benzyl 3,3-difluoro-4-(iodomethyl)-2-oxopyrrolidine-1-carboxylate
CID 71744036
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
benzyl 3-(2-chloroethyl)-2-oxopiperidine-1-carboxylate
CID 172812807
benzyl 3-(4-chlorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 11507904

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate?
The IUPAC name of benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate (CID 166438404) is benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate?
The InChIKey is MKRSSSOFGVJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-14-8-6-13(7-9-14)15-10-19(16(15)20)17(21)22-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate?
benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate has a molecular weight of 315.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate is sourced from PubChem (CID 166438404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).