(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide

C24H22ClNO2 — CID 38000686

IUPAC(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
SMILESCCOc1cccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO2/c1-2-28-21-13-8-9-18(15-21)17-26-24(27)22(19-10-4-3-5-11-19)16-20-12-6-7-14-23(20)25/h3-16H,2,17H2,1H3,(H,26,27)/b22-16+
InChIKeyLLAJBLATAIRACQ-CJLVFECKSA-N
MW391.90 g/mol
LogP5.60
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide (PubChem CID 38000686) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
PubChem CID38000686
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
SMILESCCOc1cccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO2/c1-2-28-21-13-8-9-18(15-21)17-26-24(27)22(19-10-4-3-5-11-19)16-20-12-6-7-14-23(20)25/h3-16H,2,17H2,1H3,(H,26,27)/b22-16+
InChIKeyLLAJBLATAIRACQ-CJLVFECKSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide
CID 38015442
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide (CID 38000686) is (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide is CCOc1cccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide?
The InChIKey is LLAJBLATAIRACQ-CJLVFECKSA-N. The full InChI is InChI=1S/C24H22ClNO2/c1-2-28-21-13-8-9-18(15-21)17-26-24(27)22(19-10-4-3-5-11-19)16-20-12-6-7-14-23(20)25/h3-16H,2,17H2,1H3,(H,26,27)/b22-16+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide has a molecular weight of 391.90 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 38000686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).