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

C10H12ClN3O3 — CID 61266189

IUPAC2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12ClN3O3/c1-10(2,12)9(15)13-6-3-4-7(11)8(5-6)14(16)17/h3-5H,12H2,1-2H3,(H,13,15)
InChIKeyIXCMRWVMBIESMZ-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide (PubChem CID 61266189) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
PubChem CID61266189
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12ClN3O3/c1-10(2,12)9(15)13-6-3-4-7(11)8(5-6)14(16)17/h3-5H,12H2,1-2H3,(H,13,15)
InChIKeyIXCMRWVMBIESMZ-UHFFFAOYSA-N
XLogP1.92
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.92
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

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CID 108506810
1-(4-chloro-3-nitrophenyl)-3-methylurea
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N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
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N-(4-chloro-3-nitrophenyl)-2-hydroxy-2-methyl-3-phenylsulfanylpropanamide
CID 14064768
N-(4-chloro-3-nitrophenyl)but-2-enamide
CID 78909412
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
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2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
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N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide (CID 61266189) is 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide?
The InChIKey is IXCMRWVMBIESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-10(2,12)9(15)13-6-3-4-7(11)8(5-6)14(16)17/h3-5H,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide?
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide has a molecular weight of 257.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 61266189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).