N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

C19H21FN2O3 — CID 127040209

IUPACN-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)18(24)21-16(17(23)22-25)13-9-7-12(8-10-13)14-5-4-6-15(20)11-14/h4-11,16,25H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKGTUZYZLZHMVNW-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.20
Rot. Bonds4

About N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 127040209) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID127040209
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)18(24)21-16(17(23)22-25)13-9-7-12(8-10-13)14-5-4-6-15(20)11-14/h4-11,16,25H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKGTUZYZLZHMVNW-UHFFFAOYSA-N
XLogP3.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.20
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-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 127039573
N-[1-[4-(2,6-difluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040211
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155524502
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
CID 89048036
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155564712
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
CID 155523825
5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 11689522
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 81366459
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 127040209) is N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KGTUZYZLZHMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,3)18(24)21-16(17(23)22-25)13-9-7-12(8-10-13)14-5-4-6-15(20)11-14/h4-11,16,25H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 344.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127040209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).