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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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 18887181
(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 165412054
N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-3,4,5-trimethoxybenzamide
CID 41009488
N-[(2S)-2-(2-bromo-5-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 1010260
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 3487606
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209

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).