2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide

C17H16Cl3NO3 — CID 112821238

IUPAC2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide
SMILESCCOCc1ccccc1CNC(=O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C17H16Cl3NO3/c1-2-24-9-11-6-4-3-5-10(11)8-21-17(23)14-15(20)12(18)7-13(19)16(14)22/h3-7,22H,2,8-9H2,1H3,(H,21,23)
InChIKeyCIMSZNLWQFOJGR-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.82
Rot. Bonds6

About 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide

2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide (PubChem CID 112821238) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide
PubChem CID112821238
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Name2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide
SMILESCCOCc1ccccc1CNC(=O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C17H16Cl3NO3/c1-2-24-9-11-6-4-3-5-10(11)8-21-17(23)14-15(20)12(18)7-13(19)16(14)22/h3-7,22H,2,8-9H2,1H3,(H,21,23)
InChIKeyCIMSZNLWQFOJGR-UHFFFAOYSA-N
XLogP4.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 112821181
2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 112820912
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498
1-[(2-chlorophenyl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111175620
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 55853083
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide (CID 112821238) is 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide is CCOCc1ccccc1CNC(=O)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide?
The InChIKey is CIMSZNLWQFOJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-2-24-9-11-6-4-3-5-10(11)8-21-17(23)14-15(20)12(18)7-13(19)16(14)22/h3-7,22H,2,8-9H2,1H3,(H,21,23).
What are the key properties of 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide?
2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide has a molecular weight of 388.68 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide is sourced from PubChem (CID 112821238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).