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

C22H17F3N2O4 — CID 155546277

IUPACN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1
InChIInChI=1S/C22H17F3N2O4/c1-31-16-4-2-3-14(9-16)21(28)26-20(22(29)27-30)13-7-5-12(6-8-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,30H,1H3,(H,26,28)(H,27,29)
InChIKeyYAOAPQXGRMTZHJ-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide (PubChem CID 155546277) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide
PubChem CID155546277
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1
InChIInChI=1S/C22H17F3N2O4/c1-31-16-4-2-3-14(9-16)21(28)26-20(22(29)27-30)13-7-5-12(6-8-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,30H,1H3,(H,26,28)(H,27,29)
InChIKeyYAOAPQXGRMTZHJ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-3-(4-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71458474
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
N-hydroxy-4-({[(3-methoxyphenyl)methyl]amino}methyl)benzamide
CID 25218543
Ncl-1
CID 73755256
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2105607
N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 16288497
Biphenyl-4-yl[4-(3-methoxybenzyl)piperazin-1-yl]methanone
CID 1361220
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethoxy)benzamide
CID 10165042
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581
N,N-diethyl-4-[(3-methoxyphenyl)(2,5,5-trimethylpiperazin-1-yl)methyl]benzamide
CID 10598391
N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,2,5-trimethyl-piperazin-1-yl)-methyl]-benzamide
CID 10598392
3-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11443944

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide (CID 155546277) is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C(=O)NO)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide?
The InChIKey is YAOAPQXGRMTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c1-31-16-4-2-3-14(9-16)21(28)26-20(22(29)27-30)13-7-5-12(6-8-13)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]-3-methoxybenzamide?
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 155546277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).