3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide

C22H16Cl3NO — CID 4191533

IUPAC3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(=Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3NO/c23-18-11-10-17(21(25)13-18)14-26-22(27)19(15-6-2-1-3-7-15)12-16-8-4-5-9-20(16)24/h1-13H,14H2,(H,26,27)
InChIKeyMKZGYRJVSYMCLK-UHFFFAOYSA-N
MW416.74 g/mol
LogP6.50
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide

3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide (PubChem CID 4191533) has the molecular formula C22H16Cl3NO and a molecular weight of 416.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
PubChem CID4191533
Molecular FormulaC22H16Cl3NO
Molecular Weight416.74 g/mol
Exact Mass415.03
IUPAC Name3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(=Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3NO/c23-18-11-10-17(21(25)13-18)14-26-22(27)19(15-6-2-1-3-7-15)12-16-8-4-5-9-20(16)24/h1-13H,14H2,(H,26,27)
InChIKeyMKZGYRJVSYMCLK-UHFFFAOYSA-N
XLogP6.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 749144
N-[3-[(2,4-dichlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4201110
(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
CID 38000686
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 71554897
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 87870430
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
CID 134096147

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide (CID 4191533) is 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide is O=C(NCc1ccc(Cl)cc1Cl)C(=Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide?
The InChIKey is MKZGYRJVSYMCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3NO/c23-18-11-10-17(21(25)13-18)14-26-22(27)19(15-6-2-1-3-7-15)12-16-8-4-5-9-20(16)24/h1-13H,14H2,(H,26,27).
What are the key properties of 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide?
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide has a molecular weight of 416.74 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 4191533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).