N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide

C32H26Cl2N4O6 — CID 99663730

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C\c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C32H26Cl2N4O6/c33-25-9-1-21(2-10-25)19-35-37-29(39)23-5-13-27(14-6-23)43-31-32(42-18-17-41-31)44-28-15-7-24(8-16-28)30(40)38-36-20-22-3-11-26(34)12-4-22/h1-16,19-20,31-32H,17-18H2,(H,37,39)(H,38,40)/b35-19-,36-20-/t31-,32+
InChIKeyMLPKIYDBTAYESS-NVUKRBABSA-N
MW633.49 g/mol
LogP5.68
Rot. Bonds10

About N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide (PubChem CID 99663730) has the molecular formula C32H26Cl2N4O6 and a molecular weight of 633.49 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
PubChem CID99663730
Molecular FormulaC32H26Cl2N4O6
Molecular Weight633.49 g/mol
Exact Mass632.12
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C\c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C32H26Cl2N4O6/c33-25-9-1-21(2-10-25)19-35-37-29(39)23-5-13-27(14-6-23)43-31-32(42-18-17-41-31)44-28-15-7-24(8-16-28)30(40)38-36-20-22-3-11-26(34)12-4-22/h1-16,19-20,31-32H,17-18H2,(H,37,39)(H,38,40)/b35-19-,36-20-/t31-,32+
InChIKeyMLPKIYDBTAYESS-NVUKRBABSA-N
XLogP5.68
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.49
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 40963720
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 171978503
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide (CID 99663730) is N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide is O=C(N/N=C\c1ccc(Cl)cc1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C\c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide?
The InChIKey is MLPKIYDBTAYESS-NVUKRBABSA-N. The full InChI is InChI=1S/C32H26Cl2N4O6/c33-25-9-1-21(2-10-25)19-35-37-29(39)23-5-13-27(14-6-23)43-31-32(42-18-17-41-31)44-28-15-7-24(8-16-28)30(40)38-36-20-22-3-11-26(34)12-4-22/h1-16,19-20,31-32H,17-18H2,(H,37,39)(H,38,40)/b35-19-,36-20-/t31-,32+.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide has a molecular weight of 633.49 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[[(2R,3S)-3-[4-[[(Z)-(4-chlorophenyl)methylideneamino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide is sourced from PubChem (CID 99663730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).