2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide

C12H12F5NO2 — CID 106120495

IUPAC2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5NO2/c1-5(19)3-2-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,2-4H2,1H3,(H,18,20)
InChIKeyDRRFTJZBZZJROP-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.27
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide

2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide (PubChem CID 106120495) has the molecular formula C12H12F5NO2 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
PubChem CID106120495
Molecular FormulaC12H12F5NO2
Molecular Weight297.22 g/mol
Exact Mass297.08
IUPAC Name2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F5NO2/c1-5(19)3-2-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,2-4H2,1H3,(H,18,20)
InChIKeyDRRFTJZBZZJROP-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243310
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide (CID 106120495) is 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide?
The InChIKey is DRRFTJZBZZJROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO2/c1-5(19)3-2-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h5,19H,2-4H2,1H3,(H,18,20).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide?
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide has a molecular weight of 297.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 106120495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).