2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide

C13H18ClN3O3 — CID 104668148

IUPAC2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H18ClN3O3/c1-8-5-11(17(19)20)9(14)6-10(8)16-12(18)7-15-13(2,3)4/h5-6,15H,7H2,1-4H3,(H,16,18)
InChIKeyMYAXTWVZQVUMJV-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.88
Rot. Bonds4

About 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide

2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide (PubChem CID 104668148) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
PubChem CID104668148
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H18ClN3O3/c1-8-5-11(17(19)20)9(14)6-10(8)16-12(18)7-15-13(2,3)4/h5-6,15H,7H2,1-4H3,(H,16,18)
InChIKeyMYAXTWVZQVUMJV-UHFFFAOYSA-N
XLogP2.88
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.88
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

2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
CID 104668158
2-[[2-(5-chloro-2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 115555372
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
CID 113439011
3-(5-chloro-2-methyl-4-nitroanilino)-N,2,2-trimethylpropanamide
CID 106278223

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide (CID 104668148) is 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is MYAXTWVZQVUMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-8-5-11(17(19)20)9(14)6-10(8)16-12(18)7-15-13(2,3)4/h5-6,15H,7H2,1-4H3,(H,16,18).
What are the key properties of 2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 2.88, 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-(5-chloro-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 104668148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).