2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide

C12H16ClNO — CID 62224401

IUPAC2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccccc1C(Cl)C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)14-12(15)11(13)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyQDYMKHPXAPLMMH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide

2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 62224401) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
PubChem CID62224401
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccccc1C(Cl)C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)14-12(15)11(13)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyQDYMKHPXAPLMMH-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
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-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
CID 79978332
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
3-(2-methylphenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112511684
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
CID 62226447
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide (CID 62224401) is 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide is Cc1ccccc1C(Cl)C(=O)NC(C)C.
What is the InChIKey of 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is QDYMKHPXAPLMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)14-12(15)11(13)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15).
What are the key properties of 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide?
2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62224401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).