3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide

C14H10Cl3NO2 — CID 5209652

IUPAC3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3NO2/c1-7-3-2-4-8(5-7)14(20)18-10-6-9(15)13(19)12(17)11(10)16/h2-6,19H,1H3,(H,18,20)
InChIKeyTVROYJMVFPGOCC-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.91
Rot. Bonds2

About 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide

3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (PubChem CID 5209652) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
PubChem CID5209652
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl3NO2/c1-7-3-2-4-8(5-7)14(20)18-10-6-9(15)13(19)12(17)11(10)16/h2-6,19H,1H3,(H,18,20)
InChIKeyTVROYJMVFPGOCC-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209648
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5228987
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (CID 5209652) is 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is Cc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)c1.
What is the InChIKey of 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The InChIKey is TVROYJMVFPGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c1-7-3-2-4-8(5-7)14(20)18-10-6-9(15)13(19)12(17)11(10)16/h2-6,19H,1H3,(H,18,20).
What are the key properties of 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide has a molecular weight of 330.60 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 5209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).