2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide

C18H15Cl2NO4 — CID 52920956

IUPAC2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide
SMILESCOc1cc(OCC(N)=O)ccc1C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2NO4/c1-24-17-9-13(25-10-18(21)23)5-6-14(17)16(22)7-3-11-2-4-12(19)8-15(11)20/h2-9H,10H2,1H3,(H2,21,23)/b7-3+
InChIKeyRHIWWURGAVIQEF-XVNBXDOJSA-N
MW380.23 g/mol
LogP3.76
Rot. Bonds7

About 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide

2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide (PubChem CID 52920956) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide
PubChem CID52920956
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide
SMILESCOc1cc(OCC(N)=O)ccc1C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2NO4/c1-24-17-9-13(25-10-18(21)23)5-6-14(17)16(22)7-3-11-2-4-12(19)8-15(11)20/h2-9H,10H2,1H3,(H2,21,23)/b7-3+
InChIKeyRHIWWURGAVIQEF-XVNBXDOJSA-N
XLogP3.76
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide
CID 52921022
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
(E)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19562914
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
(Z)-3-(2,6-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 92909351
(E)-1-(2,4-dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 46859145
(E)-3-(2,4-dichlorophenyl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 11314501
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide (CID 52920956) is 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide is COc1cc(OCC(N)=O)ccc1C(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide?
The InChIKey is RHIWWURGAVIQEF-XVNBXDOJSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-24-17-9-13(25-10-18(21)23)5-6-14(17)16(22)7-3-11-2-4-12(19)8-15(11)20/h2-9H,10H2,1H3,(H2,21,23)/b7-3+.
What are the key properties of 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide?
2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide has a molecular weight of 380.23 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-3-methoxyphenoxy]acetamide is sourced from PubChem (CID 52920956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).