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

C18H20ClN3O3 — CID 9185774

IUPAC2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-12(2)18(13(3)8-11)20-17(23)10-21(4)16-6-5-14(22(24)25)9-15(16)19/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyBKYSHZFORKNQPG-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.25
Rot. Bonds5

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

2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9185774) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9185774
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-12(2)18(13(3)8-11)20-17(23)10-21(4)16-6-5-14(22(24)25)9-15(16)19/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyBKYSHZFORKNQPG-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30640551
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339514
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
2-chloro-N-methyl-N-(2-methylprop-2-enyl)-4-nitroaniline
CID 133439166
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
N-(2,5-dimethylphenyl)-2-(N-methyl-2,4-dinitroanilino)acetamide
CID 9110807
2-chloro-4-nitro-N-[[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 3974829
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
2-(4-cyano-2-fluoro-N-methylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 133339045

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 9185774) is 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BKYSHZFORKNQPG-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)16-6-5-14(22(24)25)9-15(16)19/h5-9H,10H2,1-4H3,(H,20,23).
What are the key properties of 2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-chloro-N-methyl-4-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-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9185774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).