N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide

C26H24Cl2N2O6 — CID 4268630

IUPACN,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(Cl)c(OC)cc2OC)cc1Cl
InChIInChI=1S/C26H24Cl2N2O6/c1-33-20-12-22(35-3)18(10-16(20)27)29-25(32)26(15-8-6-5-7-9-15)14-24(31)30(26)19-11-17(28)21(34-2)13-23(19)36-4/h5-13H,14H2,1-4H3,(H,29,32)
InChIKeyGFGPVZLNUYRWNU-UHFFFAOYSA-N
MW531.39 g/mol
LogP5.30
Rot. Bonds8

About N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide

N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide (PubChem CID 4268630) has the molecular formula C26H24Cl2N2O6 and a molecular weight of 531.39 g/mol. Its IUPAC name is N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
PubChem CID4268630
Molecular FormulaC26H24Cl2N2O6
Molecular Weight531.39 g/mol
Exact Mass530.10
IUPAC NameN,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(Cl)c(OC)cc2OC)cc1Cl
InChIInChI=1S/C26H24Cl2N2O6/c1-33-20-12-22(35-3)18(10-16(20)27)29-25(32)26(15-8-6-5-7-9-15)14-24(31)30(26)19-11-17(28)21(34-2)13-23(19)36-4/h5-13H,14H2,1-4H3,(H,29,32)
InChIKeyGFGPVZLNUYRWNU-UHFFFAOYSA-N
XLogP5.30
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
N,1-bis(2-fluorophenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3582201
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26268983
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910

Frequently Asked Questions

What is the IUPAC name of N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide (CID 4268630) is N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide is COc1cc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(Cl)c(OC)cc2OC)cc1Cl.
What is the InChIKey of N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The InChIKey is GFGPVZLNUYRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O6/c1-33-20-12-22(35-3)18(10-16(20)27)29-25(32)26(15-8-6-5-7-9-15)14-24(31)30(26)19-11-17(28)21(34-2)13-23(19)36-4/h5-13H,14H2,1-4H3,(H,29,32).
What are the key properties of N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide has a molecular weight of 531.39 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide is sourced from PubChem (CID 4268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).