N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

C19H20F2N2O3 — CID 127040211

IUPACN-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2c(F)cccc2F)cc1
InChIInChI=1S/C19H20F2N2O3/c1-19(2,3)18(25)22-16(17(24)23-26)12-9-7-11(8-10-12)15-13(20)5-4-6-14(15)21/h4-10,16,26H,1-3H3,(H,22,25)(H,23,24)
InChIKeyKYKVKTGSYHZZLL-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.34
Rot. Bonds4

About N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 127040211) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID127040211
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2c(F)cccc2F)cc1
InChIInChI=1S/C19H20F2N2O3/c1-19(2,3)18(25)22-16(17(24)23-26)12-9-7-11(8-10-12)15-13(20)5-4-6-14(15)21/h4-10,16,26H,1-3H3,(H,22,25)(H,23,24)
InChIKeyKYKVKTGSYHZZLL-UHFFFAOYSA-N
XLogP3.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
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-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127042096
N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040209
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 127039573
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155524502
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155564712
4-[1-(2,2-dimethylpropanoylamino)-2,2,2-trifluoroethyl]-N-hydroxybenzamide
CID 123303772
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
CID 155523825
methyl 2-(2,2-dimethylpropanoylamino)-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate
CID 178035848
1-N-ethyl-4-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 155514541
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 127040211) is N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2c(F)cccc2F)cc1.
What is the InChIKey of N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KYKVKTGSYHZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-19(2,3)18(25)22-16(17(24)23-26)12-9-7-11(8-10-12)15-13(20)5-4-6-14(15)21/h4-10,16,26H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 362.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127040211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).