N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide

C12H14Cl3NO — CID 55047578

IUPACN-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c1-12(2,3)16-11(17)10(15)7-4-5-8(13)9(14)6-7/h4-6,10H,1-3H3,(H,16,17)
InChIKeyYLKLMSZKLIAABQ-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.19
Rot. Bonds2

About N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide

N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide (PubChem CID 55047578) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
PubChem CID55047578
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC NameN-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c1-12(2,3)16-11(17)10(15)7-4-5-8(13)9(14)6-7/h4-6,10H,1-3H3,(H,16,17)
InChIKeyYLKLMSZKLIAABQ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.19
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

N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
2-[2-(3,4-dichlorophenyl)propanoylamino]-2-methylpropanoic acid
CID 119187880
4-[2-(3,4-dichlorophenyl)propanoylamino]-4-methylpentanoic acid
CID 119204564
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569684
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
2-chloro-3-(3,4-dichlorophenyl)butanoic acid
CID 83662565
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
2-chloro-2-(3-chloro-4-fluorophenyl)-N-propan-2-ylacetamide
CID 81166501
N-[2-chloro-2-(3,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine;hydrochloride
CID 14820786

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide (CID 55047578) is N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide is CC(C)(C)NC(=O)C(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is YLKLMSZKLIAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-12(2,3)16-11(17)10(15)7-4-5-8(13)9(14)6-7/h4-6,10H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide?
N-tert-butyl-2-chloro-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 294.61 g/mol, XLogP of 4.19, 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-chloro-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 55047578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).