2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide

C26H26ClNO4 — CID 175294249

IUPAC2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C26H26ClNO4/c1-30-22-13-10-19(11-14-22)9-12-20-15-23(31-2)16-25(32-3)24(20)18-28(26(29)17-27)21-7-5-4-6-8-21/h4-16H,17-18H2,1-3H3
InChIKeyMGEYGRSTNROENB-UHFFFAOYSA-N
MW451.95 g/mol
LogP5.65
Rot. Bonds9

About 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide

2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide (PubChem CID 175294249) has the molecular formula C26H26ClNO4 and a molecular weight of 451.95 g/mol. Its IUPAC name is 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide
PubChem CID175294249
Molecular FormulaC26H26ClNO4
Molecular Weight451.95 g/mol
Exact Mass451.16
IUPAC Name2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C26H26ClNO4/c1-30-22-13-10-19(11-14-22)9-12-20-15-23(31-2)16-25(32-3)24(20)18-28(26(29)17-27)21-7-5-4-6-8-21/h4-16H,17-18H2,1-3H3
InChIKeyMGEYGRSTNROENB-UHFFFAOYSA-N
XLogP5.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide
CID 175294279
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
4-iodo-N-[[2-[2-(4-methoxyphenyl)ethenyl]-4,6-dimethylphenyl]methyl]-N-phenylbenzamide
CID 175294252
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
CID 175647412
3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-methylphenyl)prop-2-en-1-one
CID 54583718
(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2-fluorophenyl)penta-1,4-dien-3-one
CID 57402868
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54583562
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide?
The IUPAC name of 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide (CID 175294249) is 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide is COc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCl)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide?
The InChIKey is MGEYGRSTNROENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO4/c1-30-22-13-10-19(11-14-22)9-12-20-15-23(31-2)16-25(32-3)24(20)18-28(26(29)17-27)21-7-5-4-6-8-21/h4-16H,17-18H2,1-3H3.
What are the key properties of 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide?
2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide has a molecular weight of 451.95 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide is sourced from PubChem (CID 175294249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).