2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide

C16H16ClN3O3 — CID 9195708

IUPAC2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN3O3/c1-10-4-3-5-11(2)16(10)19-15(21)9-18-13-7-6-12(17)8-14(13)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyPWDWTTPDAWMSEC-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.92
Rot. Bonds5

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

2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9195708) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID9195708
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN3O3/c1-10-4-3-5-11(2)16(10)19-15(21)9-18-13-7-6-12(17)8-14(13)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyPWDWTTPDAWMSEC-UHFFFAOYSA-N
XLogP3.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.92
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

N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9184491
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-nitrobenzamide
CID 112794669
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
N-(4-chloro-2-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567375
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
CID 7492495
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-methyl-6-nitrobenzoate
CID 33348099
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide (CID 9195708) is 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is PWDWTTPDAWMSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-4-3-5-11(2)16(10)19-15(21)9-18-13-7-6-12(17)8-14(13)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9195708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).