(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

C24H21Cl2NO3 — CID 51058123

IUPAC(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-3-7-20(26)23(16)27-22(28)14-11-18-6-4-8-21(29-2)24(18)30-15-17-9-12-19(25)13-10-17/h3-14H,15H2,1-2H3,(H,27,28)/b14-11+
InChIKeyJMQYOCRZDUITKH-SDNWHVSQSA-N
MW442.34 g/mol
LogP6.54
Rot. Bonds7

About (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 51058123) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID51058123
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC Name(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-3-7-20(26)23(16)27-22(28)14-11-18-6-4-8-21(29-2)24(18)30-15-17-9-12-19(25)13-10-17/h3-14H,15H2,1-2H3,(H,27,28)/b14-11+
InChIKeyJMQYOCRZDUITKH-SDNWHVSQSA-N
XLogP6.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 51057953
(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
CID 19558963
3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 3932348
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8920524
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
2-[5-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 4589726
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 51058123) is (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2c(C)cccc2Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is JMQYOCRZDUITKH-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-16-5-3-7-20(26)23(16)27-22(28)14-11-18-6-4-8-21(29-2)24(18)30-15-17-9-12-19(25)13-10-17/h3-14H,15H2,1-2H3,(H,27,28)/b14-11+.
What are the key properties of (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 442.34 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 51058123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).