N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide

C8H6Cl3NO2 — CID 12761795

IUPACN-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide
SMILESO=CNCc1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H6Cl3NO2/c9-5-1-6(10)8(14)4(7(5)11)2-12-3-13/h1,3,14H,2H2,(H,12,13)
InChIKeyDWWFAWGSYOESRK-UHFFFAOYSA-N
MW254.50 g/mol
LogP2.60
Rot. Bonds3

About N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide

N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide (PubChem CID 12761795) has the molecular formula C8H6Cl3NO2 and a molecular weight of 254.50 g/mol. Its IUPAC name is N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide
PubChem CID12761795
Molecular FormulaC8H6Cl3NO2
Molecular Weight254.50 g/mol
Exact Mass252.95
IUPAC NameN-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide
SMILESO=CNCc1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H6Cl3NO2/c9-5-1-6(10)8(14)4(7(5)11)2-12-3-13/h1,3,14H,2H2,(H,12,13)
InChIKeyDWWFAWGSYOESRK-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide?
The IUPAC name of N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide (CID 12761795) is N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide.
What is the SMILES notation for N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide?
The canonical SMILES for N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide is O=CNCc1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide?
The InChIKey is DWWFAWGSYOESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO2/c9-5-1-6(10)8(14)4(7(5)11)2-12-3-13/h1,3,14H,2H2,(H,12,13).
What are the key properties of N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide?
N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide has a molecular weight of 254.50 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]formamide is sourced from PubChem (CID 12761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).