3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide

C40H40ClNO2 — CID 175256591

IUPAC3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C40H40ClNO2/c1-38(2,3)31-24-32(36(43)33(25-31)39(4,5)6)37(44)42-35-23-22-30(26-34(35)41)40(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-26,43H,1-6H3,(H,42,44)
InChIKeyQOZYWFIDSKSHER-UHFFFAOYSA-N
MW602.22 g/mol
LogP10.28
Rot. Bonds6

About 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide

3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide (PubChem CID 175256591) has the molecular formula C40H40ClNO2 and a molecular weight of 602.22 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide
PubChem CID175256591
Molecular FormulaC40H40ClNO2
Molecular Weight602.22 g/mol
Exact Mass601.27
IUPAC Name3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C40H40ClNO2/c1-38(2,3)31-24-32(36(43)33(25-31)39(4,5)6)37(44)42-35-23-22-30(26-34(35)41)40(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-26,43H,1-6H3,(H,42,44)
InChIKeyQOZYWFIDSKSHER-UHFFFAOYSA-N
XLogP10.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.22
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
CID 174538499
methyl 3-chloro-4-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]benzoate
CID 86274849
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
CID 10952469
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 11962550
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 143324956
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
CID 118641906
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide (CID 175256591) is 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide is CC(C)(C)c1cc(C(=O)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Cl)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide?
The InChIKey is QOZYWFIDSKSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40ClNO2/c1-38(2,3)31-24-32(36(43)33(25-31)39(4,5)6)37(44)42-35-23-22-30(26-34(35)41)40(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-26,43H,1-6H3,(H,42,44).
What are the key properties of 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide?
3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide has a molecular weight of 602.22 g/mol, XLogP of 10.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 175256591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).