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

C14H10Cl3NO2 — CID 5209648

IUPAC4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c1-7-2-4-8(5-3-7)14(20)18-10-6-9(15)13(19)12(17)11(10)16/h2-6,19H,1H3,(H,18,20)
InChIKeyDXHPJDVPYQPDCM-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.91
Rot. Bonds2

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

4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (PubChem CID 5209648) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
PubChem CID5209648
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c1-7-2-4-8(5-3-7)14(20)18-10-6-9(15)13(19)12(17)11(10)16/h2-6,19H,1H3,(H,18,20)
InChIKeyDXHPJDVPYQPDCM-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

3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5228987
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
N-[2-chloro-5-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2,4-difluorobenzamide
CID 23562051
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (CID 5209648) is 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1.
What is the InChIKey of 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The InChIKey is DXHPJDVPYQPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c1-7-2-4-8(5-3-7)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 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
4-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 4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 5209648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).