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

C9H10ClNO — CID 27967

IUPAC2-chloro-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCITIOELQTFSEGI-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.17
Rot. Bonds2

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

2-chloro-N-(4-methylphenyl)acetamide (PubChem CID 27967) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)acetamide
PubChem CID27967
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCITIOELQTFSEGI-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)acetamide (CID 27967) is 2-chloro-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)acetamide?
The InChIKey is CITIOELQTFSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(4-methylphenyl)acetamide?
2-chloro-N-(4-methylphenyl)acetamide has a molecular weight of 183.64 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 27967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).