N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

C23H26FN5O4 — CID 46179730

IUPACN-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide
SMILESCOc1cc(-n2cc(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)nn2)ccc1F
InChIInChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
InChIKeyMAMVMWHNRXWFPT-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.87
Rot. Bonds11

About N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide (PubChem CID 46179730) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide
PubChem CID46179730
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC NameN-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide
SMILESCOc1cc(-n2cc(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)nn2)ccc1F
InChIInChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
InChIKeyMAMVMWHNRXWFPT-UHFFFAOYSA-N
XLogP3.87
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide 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

7-Ethoxy-4-(3-[1,2,3]triazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 18548862
7-Methoxy-4-(3-[1,2,3]triazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 18548910
N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
CID 25068485
N-hydroxy-5-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 60151139
6-(4-Anisolyl)triazolylhexahydroxamic acid
CID 25068481
N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide
CID 25068486
4-[3-(Triazol-1-yl)phenyl]-8-(2,2,2-trifluoroethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 44450434
6-(3-Anisolyl)triazolylhexahydroxamic acid
CID 44585257
N'-hydroxy-N-[3-[1-[(4-hydroxyphenyl)methyl]triazol-4-yl]phenyl]octanediamide
CID 46881144
N-[2-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 145964790
(2S)-N-hydroxy-2-[[1-(3-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520984
N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 71625574

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide (CID 46179730) is N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide is COc1cc(-n2cc(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)nn2)ccc1F.
What is the InChIKey of N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide?
The InChIKey is MAMVMWHNRXWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31).
What are the key properties of N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide?
N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide has a molecular weight of 455.49 g/mol, XLogP of 3.87, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 46179730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).