N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide

C18H19F3N2O2 — CID 166062373

IUPACN-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)N(O)Cc1ccc(Nc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-18(2,3)17(24)23(25)10-11-4-6-13(7-5-11)22-16-14(20)8-12(19)9-15(16)21/h4-9,22,25H,10H2,1-3H3
InChIKeyPKRIJADVGFCPSB-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.61
Rot. Bonds4

About N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide

N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide (PubChem CID 166062373) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide
PubChem CID166062373
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)N(O)Cc1ccc(Nc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-18(2,3)17(24)23(25)10-11-4-6-13(7-5-11)22-16-14(20)8-12(19)9-15(16)21/h4-9,22,25H,10H2,1-3H3
InChIKeyPKRIJADVGFCPSB-UHFFFAOYSA-N
XLogP4.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[[4-(4-methoxyanilino)phenyl]methyl]-2,2-dimethylpropanamide
CID 166062614
N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
CID 168752934
N-hydroxy-2,2-dimethyl-N-[(4-phenylphenyl)methyl]propanamide
CID 15670577
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 166062007
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[[4-(4-tert-butylanilino)phenyl]methyl]-4-(dimethylamino)-N-hydroxybutanamide
CID 166062225
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 42695374
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42816360
2-[4-(3,5-difluoroanilino)phenyl]acetic acid
CID 82535938

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide?
The IUPAC name of N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide (CID 166062373) is N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide.
What is the SMILES notation for N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide?
The canonical SMILES for N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide is CC(C)(C)C(=O)N(O)Cc1ccc(Nc2c(F)cc(F)cc2F)cc1.
What is the InChIKey of N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide?
The InChIKey is PKRIJADVGFCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-18(2,3)17(24)23(25)10-11-4-6-13(7-5-11)22-16-14(20)8-12(19)9-15(16)21/h4-9,22,25H,10H2,1-3H3.
What are the key properties of N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide?
N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide is sourced from PubChem (CID 166062373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).