3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide

C27H29ClN4O3 — CID 137390704

IUPAC3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(-c2ccc(CCC(=O)NCCO)cc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C27H29ClN4O3/c1-27(2,3)19-14-21(18-7-4-17(5-8-18)6-11-25(34)29-12-13-33)26(35)24(15-19)32-30-22-10-9-20(28)16-23(22)31-32/h4-5,7-10,14-16,33,35H,6,11-13H2,1-3H3,(H,29,34)
InChIKeyLODZGRBUBLWSMX-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.79
Rot. Bonds7

About 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide

3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 137390704) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide
PubChem CID137390704
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(-c2ccc(CCC(=O)NCCO)cc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C27H29ClN4O3/c1-27(2,3)19-14-21(18-7-4-17(5-8-18)6-11-25(34)29-12-13-33)26(35)24(15-19)32-30-22-10-9-20(28)16-23(22)31-32/h4-5,7-10,14-16,33,35H,6,11-13H2,1-3H3,(H,29,34)
InChIKeyLODZGRBUBLWSMX-UHFFFAOYSA-N
XLogP4.79
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]-N-propylpropanamide
CID 23567676
potassium;2-bromo-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide;2-[3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]propanoylamino]ethyl 2-methylprop-2-enoate;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;3-[4-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide;2-[3-[4-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]propanoylamino]ethyl 2-methylprop-2-enoate;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;hydride;methane;methyl 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]propanoate;methyl 3-[4-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]propanoate;methyl 3-(4-iodophenyl)propanoate;molecular hydrogen;hydrofluoride;hydroiodide
CID 159728711
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-(3-hydroxypropyl)propanamide
CID 19871392
3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]-N-[1-(2-hydroxyethoxy)butan-2-yl]propanamide
CID 58604139
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))
CID 158746966
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207
2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetohydrazide
CID 139839139
4-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]butan-2-one;3-ethylheptane;nonane
CID 157381776
4-(3-hydroxypropyl)-2-(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methyl 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoate;methyl 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]propanoate
CID 158831969
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
(2-hydroxycyclohexyl) 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
CID 19871399

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide (CID 137390704) is 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide is CC(C)(C)c1cc(-c2ccc(CCC(=O)NCCO)cc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is LODZGRBUBLWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-27(2,3)19-14-21(18-7-4-17(5-8-18)6-11-25(34)29-12-13-33)26(35)24(15-19)32-30-22-10-9-20(28)16-23(22)31-32/h4-5,7-10,14-16,33,35H,6,11-13H2,1-3H3,(H,29,34).
What are the key properties of 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide?
3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 493.01 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 137390704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).