N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide

C13H16Cl3NO — CID 15830435

IUPACN-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C13H16Cl3NO/c1-12(2,3)17(11(18)13(14,15)16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyHNADDLPTMCJRKJ-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.18
Rot. Bonds2

About N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide

N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide (PubChem CID 15830435) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
PubChem CID15830435
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC NameN-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C13H16Cl3NO/c1-12(2,3)17(11(18)13(14,15)16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyHNADDLPTMCJRKJ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
benzyl-[tert-butyl(carboxy)amino]carbamic acid
CID 66680917
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CID 888438
N-benzyl-2-bromo-N-tert-butylbenzamide
CID 4539378
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
CID 54773454
N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
CID 2954043
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
CID 100995756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide (CID 15830435) is N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide?
The InChIKey is HNADDLPTMCJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-12(2,3)17(11(18)13(14,15)16)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide?
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide has a molecular weight of 308.64 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide is sourced from PubChem (CID 15830435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).