2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide

C12H16ClN3O3 — CID 27150066

IUPAC2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-12(2,3)14-7-11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-6,14H,7H2,1-3H3,(H,15,17)
InChIKeyLHGAVTFRPICMLS-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.57
Rot. Bonds4

About 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide

2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 27150066) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
PubChem CID27150066
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-12(2,3)14-7-11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-6,14H,7H2,1-3H3,(H,15,17)
InChIKeyLHGAVTFRPICMLS-UHFFFAOYSA-N
XLogP2.57
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 56542477
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254310
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide (CID 27150066) is 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide is CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is LHGAVTFRPICMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-12(2,3)14-7-11(17)15-10-5-4-8(16(18)19)6-9(10)13/h4-6,14H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide?
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 285.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 27150066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).