2-(2-amino-6-chloroanilino)-N-tert-butylacetamide

C12H18ClN3O — CID 113293124

IUPAC2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1c(N)cccc1Cl
InChIInChI=1S/C12H18ClN3O/c1-12(2,3)16-10(17)7-15-11-8(13)5-4-6-9(11)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyQUIPEARECACORF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide

2-(2-amino-6-chloroanilino)-N-tert-butylacetamide (PubChem CID 113293124) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
PubChem CID113293124
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1c(N)cccc1Cl
InChIInChI=1S/C12H18ClN3O/c1-12(2,3)16-10(17)7-15-11-8(13)5-4-6-9(11)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyQUIPEARECACORF-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
CID 115279391
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
3-chloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142997
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide (CID 113293124) is 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide?
The InChIKey is QUIPEARECACORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,3)16-10(17)7-15-11-8(13)5-4-6-9(11)14/h4-6,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide?
2-(2-amino-6-chloroanilino)-N-tert-butylacetamide has a molecular weight of 255.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloroanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).