2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

C13H18ClNO2 — CID 19855646

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cccc(C)c1N(C(=O)CCl)C(C)CO
InChIInChI=1S/C13H18ClNO2/c1-9-5-4-6-10(2)13(9)15(11(3)8-16)12(17)7-14/h4-6,11,16H,7-8H2,1-3H3
InChIKeyAODVSVVNDJWRHK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 19855646) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID19855646
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCc1cccc(C)c1N(C(=O)CCl)C(C)CO
InChIInChI=1S/C13H18ClNO2/c1-9-5-4-6-10(2)13(9)15(11(3)8-16)12(17)7-14/h4-6,11,16H,7-8H2,1-3H3
InChIKeyAODVSVVNDJWRHK-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
CID 67914778
2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
CID 86737669
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide
CID 70353714
propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
CID 175159773
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide
CID 71411423
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)-N-prop-2-ynylacetamide
CID 21487534
methyl 2-[N-(3-chloropropanoyl)-2,6-dimethylanilino]propanoate
CID 21434150
2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide
CID 88659332
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide (CID 19855646) is 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is Cc1cccc(C)c1N(C(=O)CCl)C(C)CO.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is AODVSVVNDJWRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-5-4-6-10(2)13(9)15(11(3)8-16)12(17)7-14/h4-6,11,16H,7-8H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 19855646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).