N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide

C28H20Cl2N2O2 — CID 134119182

IUPACN-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H20Cl2N2O2/c29-23-11-15-25(16-12-23)31-27(33)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(34)32-26-17-13-24(30)14-18-26/h1-18H,(H,31,33)(H,32,34)/b2-1+
InChIKeyDVLVZACWPVRRIA-OWOJBTEDSA-N
MW487.39 g/mol
LogP7.67
Rot. Bonds6

About N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide

N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide (PubChem CID 134119182) has the molecular formula C28H20Cl2N2O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
PubChem CID134119182
Molecular FormulaC28H20Cl2N2O2
Molecular Weight487.39 g/mol
Exact Mass486.09
IUPAC NameN-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H20Cl2N2O2/c29-23-11-15-25(16-12-23)31-27(33)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(34)32-26-17-13-24(30)14-18-26/h1-18H,(H,31,33)(H,32,34)/b2-1+
InChIKeyDVLVZACWPVRRIA-OWOJBTEDSA-N
XLogP7.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
[4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181742
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide (CID 134119182) is N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide?
The InChIKey is DVLVZACWPVRRIA-OWOJBTEDSA-N. The full InChI is InChI=1S/C28H20Cl2N2O2/c29-23-11-15-25(16-12-23)31-27(33)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(34)32-26-17-13-24(30)14-18-26/h1-18H,(H,31,33)(H,32,34)/b2-1+.
What are the key properties of N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide?
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide has a molecular weight of 487.39 g/mol, XLogP of 7.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide is sourced from PubChem (CID 134119182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).