2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide

C24H21Cl2NO3 — CID 22643338

IUPAC2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide
SMILESCOc1cc(/C=C/NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H21Cl2NO3/c1-29-23-14-17(8-10-22(23)30-16-18-5-3-2-4-6-18)11-12-27-24(28)15-19-7-9-20(25)21(26)13-19/h2-14H,15-16H2,1H3,(H,27,28)/b12-11+
InChIKeyYUYPBDRQUBASFU-VAWYXSNFSA-N
MW442.34 g/mol
LogP5.91
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide

2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide (PubChem CID 22643338) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide
PubChem CID22643338
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide
SMILESCOc1cc(/C=C/NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H21Cl2NO3/c1-29-23-14-17(8-10-22(23)30-16-18-5-3-2-4-6-18)11-12-27-24(28)15-19-7-9-20(25)21(26)13-19/h2-14H,15-16H2,1H3,(H,27,28)/b12-11+
InChIKeyYUYPBDRQUBASFU-VAWYXSNFSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515524
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
(E)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 6092087
(E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19567244
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
CID 110518689
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 4611479
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide (CID 22643338) is 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide is COc1cc(/C=C/NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide?
The InChIKey is YUYPBDRQUBASFU-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-29-23-14-17(8-10-22(23)30-16-18-5-3-2-4-6-18)11-12-27-24(28)15-19-7-9-20(25)21(26)13-19/h2-14H,15-16H2,1H3,(H,27,28)/b12-11+.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide has a molecular weight of 442.34 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 22643338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).