2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide

C24H20Cl2FNO2 — CID 42698583

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
SMILESCOc1ccccc1/C=C/CN(C(=O)C(Cl)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H20Cl2FNO2/c1-30-22-12-6-5-8-17(22)11-7-15-28(19-13-14-21(27)20(25)16-19)24(29)23(26)18-9-3-2-4-10-18/h2-14,16,23H,15H2,1H3/b11-7+
InChIKeyXCUOXAHTUUNPJQ-YRNVUSSQSA-N
MW444.33 g/mol
LogP6.51
Rot. Bonds7

About 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide

2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide (PubChem CID 42698583) has the molecular formula C24H20Cl2FNO2 and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
PubChem CID42698583
Molecular FormulaC24H20Cl2FNO2
Molecular Weight444.33 g/mol
Exact Mass443.09
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
SMILESCOc1ccccc1/C=C/CN(C(=O)C(Cl)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H20Cl2FNO2/c1-30-22-12-6-5-8-17(22)11-7-15-28(19-13-14-21(27)20(25)16-19)24(29)23(26)18-9-3-2-4-10-18/h2-14,16,23H,15H2,1H3/b11-7+
InChIKeyXCUOXAHTUUNPJQ-YRNVUSSQSA-N
XLogP6.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-ethyl-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 42698579
2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 42698622
N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54049845
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
N-[(E)-but-2-enyl]-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 19891492
N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide
CID 54352483
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42698114
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
N-but-2-enyl-2-chloro-N-(2-chloro-5-propan-2-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 174304229
(E)-N-(3-chloro-4-fluorophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9192215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide (CID 42698583) is 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide is COc1ccccc1/C=C/CN(C(=O)C(Cl)c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide?
The InChIKey is XCUOXAHTUUNPJQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H20Cl2FNO2/c1-30-22-12-6-5-8-17(22)11-7-15-28(19-13-14-21(27)20(25)16-19)24(29)23(26)18-9-3-2-4-10-18/h2-14,16,23H,15H2,1H3/b11-7+.
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide has a molecular weight of 444.33 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide is sourced from PubChem (CID 42698583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).