N-(2,5-dichloro-4-methylphenyl)acetamide

C9H9Cl2NO — CID 112703957

IUPACN-(2,5-dichloro-4-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-5-3-8(11)9(4-7(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKeySAOCKHKVGKRFBY-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.26
Rot. Bonds1

About N-(2,5-dichloro-4-methylphenyl)acetamide

N-(2,5-dichloro-4-methylphenyl)acetamide (PubChem CID 112703957) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)acetamide
PubChem CID112703957
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-(2,5-dichloro-4-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-5-3-8(11)9(4-7(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKeySAOCKHKVGKRFBY-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
ethane;methyl 2-acetamido-4-chloro-5-methylbenzoate
CID 166531649
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034934
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)acetamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)acetamide (CID 112703957) is N-(2,5-dichloro-4-methylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)acetamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)acetamide is CC(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)acetamide?
The InChIKey is SAOCKHKVGKRFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-5-3-8(11)9(4-7(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)acetamide?
N-(2,5-dichloro-4-methylphenyl)acetamide has a molecular weight of 218.08 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)acetamide is sourced from PubChem (CID 112703957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).