2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

C14H20ClNO2 — CID 3017607

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)CCl)C(C)CO
InChIInChI=1S/C14H20ClNO2/c1-4-12-7-5-6-10(2)14(12)16(11(3)9-17)13(18)8-15/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyRNRZTRIOAPZEME-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 3017607) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID3017607
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)CCl)C(C)CO
InChIInChI=1S/C14H20ClNO2/c1-4-12-7-5-6-10(2)14(12)16(11(3)9-17)13(18)8-15/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyRNRZTRIOAPZEME-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (CID 3017607) is 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is CCc1cccc(C)c1N(C(=O)CCl)C(C)CO.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is RNRZTRIOAPZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-12-7-5-6-10(2)14(12)16(11(3)9-17)13(18)8-15/h5-7,11,17H,4,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 3017607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).