N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide

C19H19ClN2O5 — CID 3794828

IUPACN-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H19ClN2O5/c1-25-13-9-12(10-14(26-2)17(13)27-3)18(23)21-22-16(15(20)19(22)24)11-7-5-4-6-8-11/h4-10,15-16H,1-3H3,(H,21,23)
InChIKeyUVQTXWFUVDAKBC-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.55
Rot. Bonds6

About N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide

N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide (PubChem CID 3794828) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide
PubChem CID3794828
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC NameN-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H19ClN2O5/c1-25-13-9-12(10-14(26-2)17(13)27-3)18(23)21-22-16(15(20)19(22)24)11-7-5-4-6-8-11/h4-10,15-16H,1-3H3,(H,21,23)
InChIKeyUVQTXWFUVDAKBC-UHFFFAOYSA-N
XLogP2.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide (CID 3794828) is N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is UVQTXWFUVDAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-25-13-9-12(10-14(26-2)17(13)27-3)18(23)21-22-16(15(20)19(22)24)11-7-5-4-6-8-11/h4-10,15-16H,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide?
N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 390.82 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3794828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).