2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

C22H25ClN2O5 — CID 55877884

IUPAC2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C22H25ClN2O5/c1-4-5-15-6-9-19(20(12-15)29-3)30-14-21(26)25-16-7-8-17(18(23)13-16)22(27)24-10-11-28-2/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyXUMQZZRWMZNMRE-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.47
Rot. Bonds11

About 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (PubChem CID 55877884) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
PubChem CID55877884
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C22H25ClN2O5/c1-4-5-15-6-9-19(20(12-15)29-3)30-14-21(26)25-16-7-8-17(18(23)13-16)22(27)24-10-11-28-2/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyXUMQZZRWMZNMRE-UHFFFAOYSA-N
XLogP3.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804153
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (CID 55877884) is 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The InChIKey is XUMQZZRWMZNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-4-5-15-6-9-19(20(12-15)29-3)30-14-21(26)25-16-7-8-17(18(23)13-16)22(27)24-10-11-28-2/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide has a molecular weight of 432.90 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 55877884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).