(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

C23H20ClNO3 — CID 51057801

IUPAC(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1OCc1ccccc1
InChIInChI=1S/C23H20ClNO3/c1-27-21-13-7-10-18(23(21)28-16-17-8-3-2-4-9-17)14-15-22(26)25-20-12-6-5-11-19(20)24/h2-15H,16H2,1H3,(H,25,26)/b15-14+
InChIKeyZBKUWWOHCZNXRW-CCEZHUSRSA-N
MW393.87 g/mol
LogP5.58
Rot. Bonds7

About (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 51057801) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
PubChem CID51057801
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1OCc1ccccc1
InChIInChI=1S/C23H20ClNO3/c1-27-21-13-7-10-18(23(21)28-16-17-8-3-2-4-9-17)14-15-22(26)25-20-12-6-5-11-19(20)24/h2-15H,16H2,1H3,(H,25,26)/b15-14+
InChIKeyZBKUWWOHCZNXRW-CCEZHUSRSA-N
XLogP5.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.58
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)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 51057953
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
CID 19558963
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (CID 51057801) is (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1OCc1ccccc1.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is ZBKUWWOHCZNXRW-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-27-21-13-7-10-18(23(21)28-16-17-8-3-2-4-9-17)14-15-22(26)25-20-12-6-5-11-19(20)24/h2-15H,16H2,1H3,(H,25,26)/b15-14+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 393.87 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51057801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).