N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide

C21H25F3N4O2 — CID 166062503

IUPACN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
SMILESCN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H25F3N4O2/c1-26-10-12-27(13-11-26)15-20(29)28(30)14-16-2-6-18(7-3-16)25-19-8-4-17(5-9-19)21(22,23)24/h2-9,25,30H,10-15H2,1H3
InChIKeyXNXQOJLTVZRNQI-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.41
Rot. Bonds6

About N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide

N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide (PubChem CID 166062503) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
PubChem CID166062503
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
SMILESCN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H25F3N4O2/c1-26-10-12-27(13-11-26)15-20(29)28(30)14-16-2-6-18(7-3-16)25-19-8-4-17(5-9-19)21(22,23)24/h2-9,25,30H,10-15H2,1H3
InChIKeyXNXQOJLTVZRNQI-UHFFFAOYSA-N
XLogP3.41
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide
CID 168753026
N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 168752869
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 87016290
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 31051670
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 78895971
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide
CID 166062580
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide?
The IUPAC name of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide (CID 166062503) is N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide.
What is the SMILES notation for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide?
The canonical SMILES for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide is CN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide?
The InChIKey is XNXQOJLTVZRNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-26-10-12-27(13-11-26)15-20(29)28(30)14-16-2-6-18(7-3-16)25-19-8-4-17(5-9-19)21(22,23)24/h2-9,25,30H,10-15H2,1H3.
What are the key properties of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide?
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide has a molecular weight of 422.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide is sourced from PubChem (CID 166062503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).