N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide

C18H19ClN4O2 — CID 166031560

IUPACN-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C18H19ClN4O2/c1-4-18(2,3)17(25)20-12-6-8-15(16(24)10-12)23-21-13-7-5-11(19)9-14(13)22-23/h5-10,24H,4H2,1-3H3,(H,20,25)
InChIKeyIVIUAXPXIXRPOZ-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.15
Rot. Bonds4

About N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide

N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide (PubChem CID 166031560) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
PubChem CID166031560
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C18H19ClN4O2/c1-4-18(2,3)17(25)20-12-6-8-15(16(24)10-12)23-21-13-7-5-11(19)9-14(13)22-23/h5-10,24H,4H2,1-3H3,(H,20,25)
InChIKeyIVIUAXPXIXRPOZ-UHFFFAOYSA-N
XLogP4.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
CID 168899497
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
1-[3-hydroxy-4-(5-methylbenzotriazol-2-yl)phenyl]-3-[4-[[4-[[3-hydroxy-4-(5-methylbenzotriazol-2-yl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea
CID 139798230
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-phenylurea
CID 139814797
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
N-[4-[5-(2-ethylbutylsulfanyl)benzotriazol-2-yl]-3-hydroxyphenyl]-2,4,5-trimethylbenzamide
CID 166031603
N-[3-hydroxy-4-(5-octylsulfanylbenzotriazol-2-yl)phenyl]heptanamide
CID 166031535
2,3-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 19611890
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide (CID 166031560) is N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1.
What is the InChIKey of N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide?
The InChIKey is IVIUAXPXIXRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-4-18(2,3)17(25)20-12-6-8-15(16(24)10-12)23-21-13-7-5-11(19)9-14(13)22-23/h5-10,24H,4H2,1-3H3,(H,20,25).
What are the key properties of N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide?
N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide has a molecular weight of 358.83 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 166031560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).