3-chloro-N-ethyl-4,5-dihydroxybenzamide

C9H10ClNO3 — CID 144617791

IUPAC3-chloro-N-ethyl-4,5-dihydroxybenzamide
SMILESCCNC(=O)c1cc(O)c(O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-2-11-9(14)5-3-6(10)8(13)7(12)4-5/h3-4,12-13H,2H2,1H3,(H,11,14)
InChIKeyWCSVVSAHIMTFAF-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.50
Rot. Bonds2

About 3-chloro-N-ethyl-4,5-dihydroxybenzamide

3-chloro-N-ethyl-4,5-dihydroxybenzamide (PubChem CID 144617791) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4,5-dihydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4,5-dihydroxybenzamide
PubChem CID144617791
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name3-chloro-N-ethyl-4,5-dihydroxybenzamide
SMILESCCNC(=O)c1cc(O)c(O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-2-11-9(14)5-3-6(10)8(13)7(12)4-5/h3-4,12-13H,2H2,1H3,(H,11,14)
InChIKeyWCSVVSAHIMTFAF-UHFFFAOYSA-N
XLogP1.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
CID 126791243
3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
CID 134094274
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4,5-dihydroxybenzamide?
The IUPAC name of 3-chloro-N-ethyl-4,5-dihydroxybenzamide (CID 144617791) is 3-chloro-N-ethyl-4,5-dihydroxybenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4,5-dihydroxybenzamide?
The canonical SMILES for 3-chloro-N-ethyl-4,5-dihydroxybenzamide is CCNC(=O)c1cc(O)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4,5-dihydroxybenzamide?
The InChIKey is WCSVVSAHIMTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-11-9(14)5-3-6(10)8(13)7(12)4-5/h3-4,12-13H,2H2,1H3,(H,11,14).
What are the key properties of 3-chloro-N-ethyl-4,5-dihydroxybenzamide?
3-chloro-N-ethyl-4,5-dihydroxybenzamide has a molecular weight of 215.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4,5-dihydroxybenzamide is sourced from PubChem (CID 144617791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).