N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide

C22H17F3N2O4 — CID 155523825

IUPACN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1
InChIInChI=1S/C22H17F3N2O4/c1-31-16-8-6-14(7-9-16)21(28)26-20(22(29)27-30)13-4-2-12(3-5-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,30H,1H3,(H,26,28)(H,27,29)
InChIKeyPBIOEOSFIKEHDH-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide (PubChem CID 155523825) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
PubChem CID155523825
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1
InChIInChI=1S/C22H17F3N2O4/c1-31-16-8-6-14(7-9-16)21(28)26-20(22(29)27-30)13-4-2-12(3-5-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,30H,1H3,(H,26,28)(H,27,29)
InChIKeyPBIOEOSFIKEHDH-UHFFFAOYSA-N
XLogP3.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 155514541
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]-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
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide (CID 155523825) is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide?
The InChIKey is PBIOEOSFIKEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c1-31-16-8-6-14(7-9-16)21(28)26-20(22(29)27-30)13-4-2-12(3-5-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,30H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide?
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide has a molecular weight of 430.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 155523825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).