N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide

C14H19F2NO2 — CID 171503801

IUPACN-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide
SMILESCCCC(CC)CNC(=O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-9(4-2)8-17-14(19)10-6-11(15)13(18)12(16)7-10/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyTYSRCAQATMQCSK-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.23
Rot. Bonds6

About N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide

N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide (PubChem CID 171503801) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide
PubChem CID171503801
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide
SMILESCCCC(CC)CNC(=O)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-9(4-2)8-17-14(19)10-6-11(15)13(18)12(16)7-10/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyTYSRCAQATMQCSK-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
CID 112699624
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-[2-(2-bromoethyl)pentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106118024
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide (CID 171503801) is N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide is CCCC(CC)CNC(=O)c1cc(F)c(O)c(F)c1.
What is the InChIKey of N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide?
The InChIKey is TYSRCAQATMQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-5-9(4-2)8-17-14(19)10-6-11(15)13(18)12(16)7-10/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide?
N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide has a molecular weight of 271.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 171503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).