2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide

C9H8Cl2FNO — CID 115161861

IUPAC2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(Cl)c(NC(=O)CCl)cc1F
InChIInChI=1S/C9H8Cl2FNO/c1-5-2-6(11)8(3-7(5)12)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyUNRDUISGZITNGL-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.96
Rot. Bonds2

About 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide

2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide (PubChem CID 115161861) has the molecular formula C9H8Cl2FNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
PubChem CID115161861
Molecular FormulaC9H8Cl2FNO
Molecular Weight236.07 g/mol
Exact Mass235.00
IUPAC Name2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(Cl)c(NC(=O)CCl)cc1F
InChIInChI=1S/C9H8Cl2FNO/c1-5-2-6(11)8(3-7(5)12)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyUNRDUISGZITNGL-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
3-(2-chloro-4-fluoro-5-methylanilino)propanoic acid
CID 130520765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide (CID 115161861) is 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide is Cc1cc(Cl)c(NC(=O)CCl)cc1F.
What is the InChIKey of 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide?
The InChIKey is UNRDUISGZITNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO/c1-5-2-6(11)8(3-7(5)12)13-9(14)4-10/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide?
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide has a molecular weight of 236.07 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 115161861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).