2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide

C18H20ClN3O3 — CID 9185746

IUPAC2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-12(2)18(13(3)8-11)20-17(23)10-21(4)15-6-5-14(19)9-16(15)22(24)25/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyBBPSJZRFYXTLMF-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9185746) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9185746
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-12(2)18(13(3)8-11)20-17(23)10-21(4)15-6-5-14(19)9-16(15)22(24)25/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyBBPSJZRFYXTLMF-UHFFFAOYSA-N
XLogP4.25
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
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-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185774
2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183842
4-chloro-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 697216
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
N-(2,5-dimethylphenyl)-2-(N-methyl-2,4-dinitroanilino)acetamide
CID 9110807
2-(4-benzoyl-N-methyl-2-nitroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 26454015
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30640551
N-(2,6-dichlorophenyl)-2-[N-methyl-2-nitro-4-(trifluoromethylsulfonyl)anilino]acetamide
CID 26454011
methyl 3-(4-chloro-N-methyl-2-nitroanilino)propanoate
CID 62005604
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 9185746) is 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BBPSJZRFYXTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11-7-12(2)18(13(3)8-11)20-17(23)10-21(4)15-6-5-14(19)9-16(15)22(24)25/h5-9H,10H2,1-4H3,(H,20,23).
What are the key properties of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9185746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).