4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide

C24H20F6N2O2 — CID 155155767

IUPAC4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN(CCc2c(F)c(F)c(F)c(F)c2F)Cc2ccc(C(=O)NO)cc2)cc1F
InChIInChI=1S/C24H20F6N2O2/c1-13-2-3-15(10-18(13)25)12-32(11-14-4-6-16(7-5-14)24(33)31-34)9-8-17-19(26)21(28)23(30)22(29)20(17)27/h2-7,10,34H,8-9,11-12H2,1H3,(H,31,33)
InChIKeyRYHIJGOTULNBAW-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.19
Rot. Bonds8

About 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide

4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 155155767) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide
PubChem CID155155767
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC Name4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN(CCc2c(F)c(F)c(F)c(F)c2F)Cc2ccc(C(=O)NO)cc2)cc1F
InChIInChI=1S/C24H20F6N2O2/c1-13-2-3-15(10-18(13)25)12-32(11-14-4-6-16(7-5-14)24(33)31-34)9-8-17-19(26)21(28)23(30)22(29)20(17)27/h2-7,10,34H,8-9,11-12H2,1H3,(H,31,33)
InChIKeyRYHIJGOTULNBAW-UHFFFAOYSA-N
XLogP5.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Bavarostat
CID 134812690
N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CID 91810840
2-[(E)-3-(4-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198519
2-[(E)-3-(2,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71449487
3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
CID 155598289
N,N-dibenzyl-2,6-difluorobenzamide
CID 2321718
N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 163183437
N-hydroxy-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11323577
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide
CID 2169584
N,N'-Dibenzyl-N,N'-diethyl-terephthalamide
CID 1005063

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide (CID 155155767) is 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide is Cc1ccc(CN(CCc2c(F)c(F)c(F)c(F)c2F)Cc2ccc(C(=O)NO)cc2)cc1F.
What is the InChIKey of 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is RYHIJGOTULNBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-13-2-3-15(10-18(13)25)12-32(11-14-4-6-16(7-5-14)24(33)31-34)9-8-17-19(26)21(28)23(30)22(29)20(17)27/h2-7,10,34H,8-9,11-12H2,1H3,(H,31,33).
What are the key properties of 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide?
4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 482.42 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155155767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).