4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C27H28F2N2O4 — CID 87376007

IUPAC4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2F)c2ccccc2F)cc1)NO
InChIInChI=1S/C27H28F2N2O4/c28-23-11-6-4-9-21(23)27(34,22-10-5-7-12-24(22)29)20-16-14-19(15-17-20)26(33)30-18-8-2-1-3-13-25(32)31-35/h4-7,9-12,14-17,34-35H,1-3,8,13,18H2,(H,30,33)(H,31,32)
InChIKeyFLVXKXXWRURAER-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.43
Rot. Bonds11

About 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87376007) has the molecular formula C27H28F2N2O4 and a molecular weight of 482.53 g/mol. Its IUPAC name is 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87376007
Molecular FormulaC27H28F2N2O4
Molecular Weight482.53 g/mol
Exact Mass482.20
IUPAC Name4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2F)c2ccccc2F)cc1)NO
InChIInChI=1S/C27H28F2N2O4/c28-23-11-6-4-9-21(23)27(34,22-10-5-7-12-24(22)29)20-16-14-19(15-17-20)26(33)30-18-8-2-1-3-13-25(32)31-35/h4-7,9-12,14-17,34-35H,1-3,8,13,18H2,(H,30,33)(H,31,32)
InChIKeyFLVXKXXWRURAER-UHFFFAOYSA-N
XLogP4.43
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
N'-[bis(4-fluorophenyl)(hydroxy)acetyl]-N-ethylbenzohydrazide
CID 1918140
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-[4-(4-trifluoromethyl-phenyl)-butyl]-benzamide
CID 23544126
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
CID 24895553

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87376007) is 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is O=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2F)c2ccccc2F)cc1)NO.
What is the InChIKey of 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is FLVXKXXWRURAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O4/c28-23-11-6-4-9-21(23)27(34,22-10-5-7-12-24(22)29)20-16-14-19(15-17-20)26(33)30-18-8-2-1-3-13-25(32)31-35/h4-7,9-12,14-17,34-35H,1-3,8,13,18H2,(H,30,33)(H,31,32).
What are the key properties of 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 482.53 g/mol, XLogP of 4.43, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-fluorophenyl)-hydroxymethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87376007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).