2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

C28H29ClN2O8 — CID 3729921

IUPAC2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C28H29ClN2O8/c1-34-20-11-16(12-21(35-2)25(20)38-5)30-27(33)28(18-9-7-8-10-19(18)29)15-24(32)31(28)17-13-22(36-3)26(39-6)23(14-17)37-4/h7-14H,15H2,1-6H3,(H,30,33)
InChIKeyRZTLXMRPPONLES-UHFFFAOYSA-N
MW557.00 g/mol
LogP4.66
Rot. Bonds10

About 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (PubChem CID 3729921) has the molecular formula C28H29ClN2O8 and a molecular weight of 557.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
PubChem CID3729921
Molecular FormulaC28H29ClN2O8
Molecular Weight557.00 g/mol
Exact Mass556.16
IUPAC Name2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C28H29ClN2O8/c1-34-20-11-16(12-21(35-2)25(20)38-5)30-27(33)28(18-9-7-8-10-19(18)29)15-24(32)31(28)17-13-22(36-3)26(39-6)23(14-17)37-4/h7-14H,15H2,1-6H3,(H,30,33)
InChIKeyRZTLXMRPPONLES-UHFFFAOYSA-N
XLogP4.66
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.00
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3778887
2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3517088
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2582947
N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4268630
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
(3aS)-4-methyl-1,5-dioxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974851
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3413502

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (CID 3729921) is 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is COc1cc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The InChIKey is RZTLXMRPPONLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O8/c1-34-20-11-16(12-21(35-2)25(20)38-5)30-27(33)28(18-9-7-8-10-19(18)29)15-24(32)31(28)17-13-22(36-3)26(39-6)23(14-17)37-4/h7-14H,15H2,1-6H3,(H,30,33).
What are the key properties of 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide has a molecular weight of 557.00 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 3729921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).