N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide

C15H20F2N2O2 — CID 120954679

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)C2CC(F)(F)CN2)c1
InChIInChI=1S/C15H20F2N2O2/c1-14(2,3)9-4-5-12(20)10(6-9)19-13(21)11-7-15(16,17)8-18-11/h4-6,11,18,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyNHDLGMATMDDSKY-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.63
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 120954679) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID120954679
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)C2CC(F)(F)CN2)c1
InChIInChI=1S/C15H20F2N2O2/c1-14(2,3)9-4-5-12(20)10(6-9)19-13(21)11-7-15(16,17)8-18-11/h4-6,11,18,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyNHDLGMATMDDSKY-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954672
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51186150
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 47021187
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27672888
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide (CID 120954679) is N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide is CC(C)(C)c1ccc(O)c(NC(=O)C2CC(F)(F)CN2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is NHDLGMATMDDSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-14(2,3)9-4-5-12(20)10(6-9)19-13(21)11-7-15(16,17)8-18-11/h4-6,11,18,20H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120954679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).