N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide

C12H16Cl2N2O — CID 18630356

IUPACN-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
SMILESCC(C)(C)Nc1c(Cl)cccc1NC(=O)CCl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)16-11-8(14)5-4-6-9(11)15-10(17)7-13/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyNSPVIIGCYDQMHF-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.73
Rot. Bonds3

About N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide

N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide (PubChem CID 18630356) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
PubChem CID18630356
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
SMILESCC(C)(C)Nc1c(Cl)cccc1NC(=O)CCl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)16-11-8(14)5-4-6-9(11)15-10(17)7-13/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyNSPVIIGCYDQMHF-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(tert-butylamino)-3-chlorophenyl]propan-2-one
CID 174836838
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
CID 150000965
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide?
The IUPAC name of N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide (CID 18630356) is N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide is CC(C)(C)Nc1c(Cl)cccc1NC(=O)CCl.
What is the InChIKey of N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide?
The InChIKey is NSPVIIGCYDQMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2,3)16-11-8(14)5-4-6-9(11)15-10(17)7-13/h4-6,16H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide?
N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide has a molecular weight of 275.18 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide is sourced from PubChem (CID 18630356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).