3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide

C11H14ClN3O3 — CID 113439011

IUPAC3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)CN
InChIInChI=1S/C11H14ClN3O3/c1-6-3-10(15(17)18)8(12)4-9(6)14-11(16)7(2)5-13/h3-4,7H,5,13H2,1-2H3,(H,14,16)
InChIKeySHAQBYMGARYTEH-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide

3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide (PubChem CID 113439011) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
PubChem CID113439011
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)CN
InChIInChI=1S/C11H14ClN3O3/c1-6-3-10(15(17)18)8(12)4-9(6)14-11(16)7(2)5-13/h3-4,7H,5,13H2,1-2H3,(H,14,16)
InChIKeySHAQBYMGARYTEH-UHFFFAOYSA-N
XLogP2.09
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.09
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

3-chloro-N-(2,5-dimethyl-4-nitrophenyl)-2-methylpropanamide
CID 103145250
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
CID 104668158
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
3-amino-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 62669120
methyl 2-(5-chloro-2-methyl-4-nitroanilino)-3-hydroxypropanoate
CID 113334612
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
(E)-4-(5-chloro-2-methyl-4-nitroanilino)-4-oxobut-2-enoic acid
CID 104667808
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide (CID 113439011) is 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is SHAQBYMGARYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-6-3-10(15(17)18)8(12)4-9(6)14-11(16)7(2)5-13/h3-4,7H,5,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide?
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 271.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 113439011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).