N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide

C24H20Cl2N2O4 — CID 35719335

IUPACN,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide
SMILESCCOc1cc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C24H20Cl2N2O4/c1-2-32-22-14-15(11-12-21(22)29)13-16(23(30)27-19-9-5-3-7-17(19)25)24(31)28-20-10-6-4-8-18(20)26/h3-14,29H,2H2,1H3,(H,27,30)(H,28,31)
InChIKeyVDHPEGUPDPSXEG-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.76
Rot. Bonds7

About N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide

N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide (PubChem CID 35719335) has the molecular formula C24H20Cl2N2O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide
PubChem CID35719335
Molecular FormulaC24H20Cl2N2O4
Molecular Weight471.34 g/mol
Exact Mass470.08
IUPAC NameN,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide
SMILESCCOc1cc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C24H20Cl2N2O4/c1-2-32-22-14-15(11-12-21(22)29)13-16(23(30)27-19-9-5-3-7-17(19)25)24(31)28-20-10-6-4-8-18(20)26/h3-14,29H,2H2,1H3,(H,27,30)(H,28,31)
InChIKeyVDHPEGUPDPSXEG-UHFFFAOYSA-N
XLogP5.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
(E)-N-(2-chlorophenyl)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enamide
CID 7967212
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
N,N'-bis(2-chlorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55355645
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
N'-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 136845042
4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-2-ethoxyphenol
CID 135609871
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 60591969
[4-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 5086580
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865392

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide (CID 35719335) is N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide is CCOc1cc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)ccc1O.
What is the InChIKey of N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide?
The InChIKey is VDHPEGUPDPSXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O4/c1-2-32-22-14-15(11-12-21(22)29)13-16(23(30)27-19-9-5-3-7-17(19)25)24(31)28-20-10-6-4-8-18(20)26/h3-14,29H,2H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide?
N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide has a molecular weight of 471.34 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chlorophenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanediamide is sourced from PubChem (CID 35719335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).