4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide

C12H14ClF2NO2 — CID 107318738

IUPAC4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c13-9-7-10(14)8(6-11(9)15)12(18)16-4-2-1-3-5-17/h6-7,17H,1-5H2,(H,16,18)
InChIKeyGADNXYMKZFBHPY-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.51
Rot. Bonds6

About 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide

4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide (PubChem CID 107318738) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
PubChem CID107318738
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c13-9-7-10(14)8(6-11(9)15)12(18)16-4-2-1-3-5-17/h6-7,17H,1-5H2,(H,16,18)
InChIKeyGADNXYMKZFBHPY-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.51
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'}

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Related Compounds

N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799
4,5-difluoro-2-(5-hydroxypentylcarbamoyl)benzoic acid
CID 107316553
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide (CID 107318738) is 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide?
The InChIKey is GADNXYMKZFBHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c13-9-7-10(14)8(6-11(9)15)12(18)16-4-2-1-3-5-17/h6-7,17H,1-5H2,(H,16,18).
What are the key properties of 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide?
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide has a molecular weight of 277.70 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107318738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).