N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide

C42H36N2O2 — CID 155202146

IUPACN-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CCc2ccccc2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(CCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C42H36N2O2/c45-41(43-39-15-7-13-33(29-39)19-17-31-9-3-1-4-10-31)37-25-21-35(22-26-37)36-23-27-38(28-24-36)42(46)44-40-16-8-14-34(30-40)20-18-32-11-5-2-6-12-32/h1-16,21-30H,17-20H2,(H,43,45)(H,44,46)
InChIKeyKUJXZOQBWDJKQF-UHFFFAOYSA-N
MW600.76 g/mol
LogP9.43
Rot. Bonds11

About N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide

N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 155202146) has the molecular formula C42H36N2O2 and a molecular weight of 600.76 g/mol. Its IUPAC name is N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID155202146
Molecular FormulaC42H36N2O2
Molecular Weight600.76 g/mol
Exact Mass600.28
IUPAC NameN-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CCc2ccccc2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(CCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C42H36N2O2/c45-41(43-39-15-7-13-33(29-39)19-17-31-9-3-1-4-10-31)37-25-21-35(22-26-37)36-23-27-38(28-24-36)42(46)44-40-16-8-14-34(30-40)20-18-32-11-5-2-6-12-32/h1-16,21-30H,17-20H2,(H,43,45)(H,44,46)
InChIKeyKUJXZOQBWDJKQF-UHFFFAOYSA-N
XLogP9.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
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4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
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CID 170421564
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide (CID 155202146) is N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide is O=C(Nc1cccc(CCc2ccccc2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(CCc4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is KUJXZOQBWDJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O2/c45-41(43-39-15-7-13-33(29-39)19-17-31-9-3-1-4-10-31)37-25-21-35(22-26-37)36-23-27-38(28-24-36)42(46)44-40-16-8-14-34(30-40)20-18-32-11-5-2-6-12-32/h1-16,21-30H,17-20H2,(H,43,45)(H,44,46).
What are the key properties of N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide?
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 600.76 g/mol, XLogP of 9.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 155202146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).