N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide

C28H22ClNO2 — CID 138972633

IUPACN-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C28H22ClNO2/c29-24-16-7-8-17-25(24)30-28(32)26-23(21-13-5-2-6-14-21)19-18-22(27(26)31)15-9-12-20-10-3-1-4-11-20/h1-14,16-19,31H,15H2,(H,30,32)/b12-9+
InChIKeyKVGGFJXQYALVFT-FMIVXFBMSA-N
MW439.94 g/mol
LogP7.22
Rot. Bonds6

About N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide

N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide (PubChem CID 138972633) has the molecular formula C28H22ClNO2 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide
PubChem CID138972633
Molecular FormulaC28H22ClNO2
Molecular Weight439.94 g/mol
Exact Mass439.13
IUPAC NameN-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide
SMILESO=C(Nc1ccccc1Cl)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C28H22ClNO2/c29-24-16-7-8-17-25(24)30-28(32)26-23(21-13-5-2-6-14-21)19-18-22(27(26)31)15-9-12-20-10-3-1-4-11-20/h1-14,16-19,31H,15H2,(H,30,32)/b12-9+
InChIKeyKVGGFJXQYALVFT-FMIVXFBMSA-N
XLogP7.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide (CID 138972633) is N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide is O=C(Nc1ccccc1Cl)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O.
What is the InChIKey of N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide?
The InChIKey is KVGGFJXQYALVFT-FMIVXFBMSA-N. The full InChI is InChI=1S/C28H22ClNO2/c29-24-16-7-8-17-25(24)30-28(32)26-23(21-13-5-2-6-14-21)19-18-22(27(26)31)15-9-12-20-10-3-1-4-11-20/h1-14,16-19,31H,15H2,(H,30,32)/b12-9+.
What are the key properties of N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide?
N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide has a molecular weight of 439.94 g/mol, XLogP of 7.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 138972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).