2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide

C21H26ClNO2 — CID 56697988

IUPAC2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H26ClNO2/c1-20(2,3)15-11-13(12-16(18(15)24)21(4,5)6)23-19(25)14-9-7-8-10-17(14)22/h7-12,24H,1-6H3,(H,23,25)
InChIKeyBZRLZRSTLAENGX-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.89
Rot. Bonds2

About 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide

2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide (PubChem CID 56697988) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
PubChem CID56697988
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H26ClNO2/c1-20(2,3)15-11-13(12-16(18(15)24)21(4,5)6)23-19(25)14-9-7-8-10-17(14)22/h7-12,24H,1-6H3,(H,23,25)
InChIKeyBZRLZRSTLAENGX-UHFFFAOYSA-N
XLogP5.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 3603444
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
CID 69255811
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide (CID 56697988) is 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide?
The InChIKey is BZRLZRSTLAENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-20(2,3)15-11-13(12-16(18(15)24)21(4,5)6)23-19(25)14-9-7-8-10-17(14)22/h7-12,24H,1-6H3,(H,23,25).
What are the key properties of 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide?
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide has a molecular weight of 359.90 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 56697988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).