N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide

C23H25ClN2O3 — CID 95806954

IUPACN-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide
SMILESCOc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O3/c1-26-13-11-17(12-14-26)7-8-18-9-10-21(22(15-18)28-2)29-16-23(27)25-20-6-4-3-5-19(20)24/h3-11,15H,12-14,16H2,1-2H3,(H,25,27)/b8-7+
InChIKeyQNXJLERDJHDYTC-BQYQJAHWSA-N
MW412.92 g/mol
LogP4.64
Rot. Bonds7

About N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide

N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide (PubChem CID 95806954) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide
PubChem CID95806954
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide
SMILESCOc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O3/c1-26-13-11-17(12-14-26)7-8-18-9-10-21(22(15-18)28-2)29-16-23(27)25-20-6-4-3-5-19(20)24/h3-11,15H,12-14,16H2,1-2H3,(H,25,27)/b8-7+
InChIKeyQNXJLERDJHDYTC-BQYQJAHWSA-N
XLogP4.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
N-(2-chlorophenyl)-2-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 27112870
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7791013
ethyl 2-[4-[[[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 4556147
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
N-(2-chlorophenyl)-2-[2-methoxy-4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetamide
CID 94709942
2-[4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 16553739
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
CID 18273621

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide (CID 95806954) is N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide is COc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide?
The InChIKey is QNXJLERDJHDYTC-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-26-13-11-17(12-14-26)7-8-18-9-10-21(22(15-18)28-2)29-16-23(27)25-20-6-4-3-5-19(20)24/h3-11,15H,12-14,16H2,1-2H3,(H,25,27)/b8-7+.
What are the key properties of N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide?
N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide has a molecular weight of 412.92 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-methoxy-4-[(E)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]phenoxy]acetamide is sourced from PubChem (CID 95806954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).