2-chloro-N-(3-ethylphenyl)acetamide

C10H12ClNO — CID 2384588

IUPAC2-chloro-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyIYOKUEWCRWBQQT-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-N-(3-ethylphenyl)acetamide

2-chloro-N-(3-ethylphenyl)acetamide (PubChem CID 2384588) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylphenyl)acetamide
PubChem CID2384588
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H12ClNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyIYOKUEWCRWBQQT-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.43
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

2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-chloro-N-[3-(cyanomethyl)phenyl]acetamide
CID 130624468
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
N-(3-ethylphenyl)decanamide
CID 4053743
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-ethylphenyl)acetamide (CID 2384588) is 2-chloro-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(3-ethylphenyl)acetamide?
The InChIKey is IYOKUEWCRWBQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(3-ethylphenyl)acetamide?
2-chloro-N-(3-ethylphenyl)acetamide has a molecular weight of 197.66 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 2384588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).