N-(2,3,4-trichloro-6-methylphenyl)acetamide

C9H8Cl3NO — CID 88800520

IUPACN-(2,3,4-trichloro-6-methylphenyl)acetamide
SMILESCC(=O)Nc1c(C)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl3NO/c1-4-3-6(10)7(11)8(12)9(4)13-5(2)14/h3H,1-2H3,(H,13,14)
InChIKeyPVHXMYOUIMWNJA-UHFFFAOYSA-N
MW252.53 g/mol
LogP3.91
Rot. Bonds1

About N-(2,3,4-trichloro-6-methylphenyl)acetamide

N-(2,3,4-trichloro-6-methylphenyl)acetamide (PubChem CID 88800520) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is N-(2,3,4-trichloro-6-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3,4-trichloro-6-methylphenyl)acetamide
PubChem CID88800520
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC NameN-(2,3,4-trichloro-6-methylphenyl)acetamide
SMILESCC(=O)Nc1c(C)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl3NO/c1-4-3-6(10)7(11)8(12)9(4)13-5(2)14/h3H,1-2H3,(H,13,14)
InChIKeyPVHXMYOUIMWNJA-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide
CID 134159183
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
N-(2-fluoro-4,6-dimethylphenyl)acetamide
CID 126993830
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trichloro-6-methylphenyl)acetamide?
The IUPAC name of N-(2,3,4-trichloro-6-methylphenyl)acetamide (CID 88800520) is N-(2,3,4-trichloro-6-methylphenyl)acetamide.
What is the SMILES notation for N-(2,3,4-trichloro-6-methylphenyl)acetamide?
The canonical SMILES for N-(2,3,4-trichloro-6-methylphenyl)acetamide is CC(=O)Nc1c(C)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-(2,3,4-trichloro-6-methylphenyl)acetamide?
The InChIKey is PVHXMYOUIMWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c1-4-3-6(10)7(11)8(12)9(4)13-5(2)14/h3H,1-2H3,(H,13,14).
What are the key properties of N-(2,3,4-trichloro-6-methylphenyl)acetamide?
N-(2,3,4-trichloro-6-methylphenyl)acetamide has a molecular weight of 252.53 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trichloro-6-methylphenyl)acetamide is sourced from PubChem (CID 88800520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).