2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide

C21H26ClNO — CID 71411423

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide
SMILESCCc1cccc(CC)c1N(C(=O)CCl)C(C)c1cccc(C)c1
InChIInChI=1S/C21H26ClNO/c1-5-17-10-8-11-18(6-2)21(17)23(20(24)14-22)16(4)19-12-7-9-15(3)13-19/h7-13,16H,5-6,14H2,1-4H3
InChIKeyOSYUIWRKCVIVRH-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.45
Rot. Bonds6

About 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide

2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide (PubChem CID 71411423) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide
PubChem CID71411423
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide
SMILESCCc1cccc(CC)c1N(C(=O)CCl)C(C)c1cccc(C)c1
InChIInChI=1S/C21H26ClNO/c1-5-17-10-8-11-18(6-2)21(17)23(20(24)14-22)16(4)19-12-7-9-15(3)13-19/h7-13,16H,5-6,14H2,1-4H3
InChIKeyOSYUIWRKCVIVRH-UHFFFAOYSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Metolachlor
CID 4169
Acetochlor
CID 1988
Alachlor
CID 2078
Butachlor
CID 31677
S-Metolachlor
CID 11140605
2-chloro-N-(2,6-diethylphenyl)acetamide
CID 96338
Dimethachlor
CID 39722
Pretilachlor
CID 91644
2-Chloro-N-(2,6-dimethylphenyl)acetamide
CID 70798
Propisochlor
CID 167454
Diethatyl-ethyl
CID 38090
2-Chloro-N-(2-ethyl-6-methylphenyl)acetamide
CID 670477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide (CID 71411423) is 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide is CCc1cccc(CC)c1N(C(=O)CCl)C(C)c1cccc(C)c1.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is OSYUIWRKCVIVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-5-17-10-8-11-18(6-2)21(17)23(20(24)14-22)16(4)19-12-7-9-15(3)13-19/h7-13,16H,5-6,14H2,1-4H3.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide?
2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 343.90 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 71411423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).