N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide

C12H16ClNO4 — CID 106307093

IUPACN-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
SMILESO=C(NCCCOCCCl)c1c(O)cccc1O
InChIInChI=1S/C12H16ClNO4/c13-5-8-18-7-2-6-14-12(17)11-9(15)3-1-4-10(11)16/h1,3-4,15-16H,2,5-8H2,(H,14,17)
InChIKeyXVPJYGHZACDJNA-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide

N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide (PubChem CID 106307093) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
PubChem CID106307093
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC NameN-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
SMILESO=C(NCCCOCCCl)c1c(O)cccc1O
InChIInChI=1S/C12H16ClNO4/c13-5-8-18-7-2-6-14-12(17)11-9(15)3-1-4-10(11)16/h1,3-4,15-16H,2,5-8H2,(H,14,17)
InChIKeyXVPJYGHZACDJNA-UHFFFAOYSA-N
XLogP1.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
N-[3-(2-chloroethoxy)propyl]-3-nitrobenzamide
CID 114171390
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide (CID 106307093) is N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide is O=C(NCCCOCCCl)c1c(O)cccc1O.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide?
The InChIKey is XVPJYGHZACDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c13-5-8-18-7-2-6-14-12(17)11-9(15)3-1-4-10(11)16/h1,3-4,15-16H,2,5-8H2,(H,14,17).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide?
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide has a molecular weight of 273.72 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 106307093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).