4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide

C53H42N2O4 — CID 19577181

IUPAC4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C53H42N2O4/c1-53(2,43-21-29-47(30-22-43)58-49-33-25-45(26-34-49)54-51(56)41-17-13-39(14-18-41)37-9-5-3-6-10-37)44-23-31-48(32-24-44)59-50-35-27-46(28-36-50)55-52(57)42-19-15-40(16-20-42)38-11-7-4-8-12-38/h3-36H,1-2H3,(H,54,56)(H,55,57)
InChIKeyQXYZNNHDJSTBFU-UHFFFAOYSA-N
MW770.93 g/mol
LogP13.44
Rot. Bonds12

About 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide

4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide (PubChem CID 19577181) has the molecular formula C53H42N2O4 and a molecular weight of 770.93 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
PubChem CID19577181
Molecular FormulaC53H42N2O4
Molecular Weight770.93 g/mol
Exact Mass770.31
IUPAC Name4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C53H42N2O4/c1-53(2,43-21-29-47(30-22-43)58-49-33-25-45(26-34-49)54-51(56)41-17-13-39(14-18-41)37-9-5-3-6-10-37)44-23-31-48(32-24-44)59-50-35-27-46(28-36-50)55-52(57)42-19-15-40(16-20-42)38-11-7-4-8-12-38/h3-36H,1-2H3,(H,54,56)(H,55,57)
InChIKeyQXYZNNHDJSTBFU-UHFFFAOYSA-N
XLogP13.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 513.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[2-[4-[4-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 59372685
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide (CID 19577181) is 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide is CC(C)(c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The InChIKey is QXYZNNHDJSTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2O4/c1-53(2,43-21-29-47(30-22-43)58-49-33-25-45(26-34-49)54-51(56)41-17-13-39(14-18-41)37-9-5-3-6-10-37)44-23-31-48(32-24-44)59-50-35-27-46(28-36-50)55-52(57)42-19-15-40(16-20-42)38-11-7-4-8-12-38/h3-36H,1-2H3,(H,54,56)(H,55,57).
What are the key properties of 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide has a molecular weight of 770.93 g/mol, XLogP of 13.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide is sourced from PubChem (CID 19577181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).