2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide

C15H12Cl3NO3 — CID 112820912

IUPAC2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO3/c1-22-9-4-2-8(3-5-9)7-19-15(21)12-13(18)10(16)6-11(17)14(12)20/h2-6,20H,7H2,1H3,(H,19,21)
InChIKeyAWTGXUPCDQWAHD-UHFFFAOYSA-N
MW360.62 g/mol
LogP4.29
Rot. Bonds4

About 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide

2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 112820912) has the molecular formula C15H12Cl3NO3 and a molecular weight of 360.62 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID112820912
Molecular FormulaC15H12Cl3NO3
Molecular Weight360.62 g/mol
Exact Mass358.99
IUPAC Name2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO3/c1-22-9-4-2-8(3-5-9)7-19-15(21)12-13(18)10(16)6-11(17)14(12)20/h2-6,20H,7H2,1H3,(H,19,21)
InChIKeyAWTGXUPCDQWAHD-UHFFFAOYSA-N
XLogP4.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.29
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-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498
2,3,5-trichloro-6-hydroxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 112824262
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821238
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122149844
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 112820912) is 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is AWTGXUPCDQWAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO3/c1-22-9-4-2-8(3-5-9)7-19-15(21)12-13(18)10(16)6-11(17)14(12)20/h2-6,20H,7H2,1H3,(H,19,21).
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 360.62 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 112820912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).