2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide

C12H16ClNO — CID 171546068

IUPAC2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1cc(Cl)ccc1CC(=O)NC(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)14-12(15)7-10-4-5-11(13)6-9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyVDZYMLDDJMCDPF-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide

2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 171546068) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
PubChem CID171546068
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1cc(Cl)ccc1CC(=O)NC(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)14-12(15)7-10-4-5-11(13)6-9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyVDZYMLDDJMCDPF-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 99824628
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide (CID 171546068) is 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide is Cc1cc(Cl)ccc1CC(=O)NC(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is VDZYMLDDJMCDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)14-12(15)7-10-4-5-11(13)6-9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide?
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 171546068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).