3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide

C28H23Cl2NO2 — CID 4507863

IUPAC3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C28H23Cl2NO2/c1-28(2,20-6-4-3-5-7-20)21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)31-27(32)19-8-17-25(29)26(30)18-19/h3-18H,1-2H3,(H,31,32)
InChIKeyUCABLVULBPHPRK-UHFFFAOYSA-N
MW476.40 g/mol
LogP8.36
Rot. Bonds6

About 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide

3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide (PubChem CID 4507863) has the molecular formula C28H23Cl2NO2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
PubChem CID4507863
Molecular FormulaC28H23Cl2NO2
Molecular Weight476.40 g/mol
Exact Mass475.11
IUPAC Name3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C28H23Cl2NO2/c1-28(2,20-6-4-3-5-7-20)21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)31-27(32)19-8-17-25(29)26(30)18-19/h3-18H,1-2H3,(H,31,32)
InChIKeyUCABLVULBPHPRK-UHFFFAOYSA-N
XLogP8.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.40
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 19577181
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
CID 51064300
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide (CID 4507863) is 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide is CC(C)(c1ccccc1)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide?
The InChIKey is UCABLVULBPHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2NO2/c1-28(2,20-6-4-3-5-7-20)21-9-13-23(14-10-21)33-24-15-11-22(12-16-24)31-27(32)19-8-17-25(29)26(30)18-19/h3-18H,1-2H3,(H,31,32).
What are the key properties of 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide?
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide has a molecular weight of 476.40 g/mol, XLogP of 8.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide is sourced from PubChem (CID 4507863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).