N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide

C13H18ClNO — CID 67968196

IUPACN-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)6-5-10(9)8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyCILJILAEQBTWSX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.11
Rot. Bonds2

About N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide

N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide (PubChem CID 67968196) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
PubChem CID67968196
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)6-5-10(9)8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyCILJILAEQBTWSX-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide (CID 67968196) is N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is CILJILAEQBTWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-11(14)6-5-10(9)8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide?
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 239.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 67968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).