3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide

C13H18ClNO3 — CID 63692359

IUPAC3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-3-15(7-8-18-4-2)13(17)10-5-6-12(16)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyNNWLYNPCFDBVFA-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.54
Rot. Bonds6

About 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide

3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide (PubChem CID 63692359) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
PubChem CID63692359
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-3-15(7-8-18-4-2)13(17)10-5-6-12(16)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyNNWLYNPCFDBVFA-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63697515
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide (CID 63692359) is 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide is CCOCCN(CC)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide?
The InChIKey is NNWLYNPCFDBVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-15(7-8-18-4-2)13(17)10-5-6-12(16)11(14)9-10/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide?
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide is sourced from PubChem (CID 63692359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).