2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide

C15H13ClFN3O3 — CID 9183842

IUPAC2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClFN3O3/c1-19(13-7-2-10(16)8-14(13)20(22)23)9-15(21)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeyJHTUASXTLVFGHR-UHFFFAOYSA-N
MW337.74 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide

2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 9183842) has the molecular formula C15H13ClFN3O3 and a molecular weight of 337.74 g/mol. Its IUPAC name is 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
PubChem CID9183842
Molecular FormulaC15H13ClFN3O3
Molecular Weight337.74 g/mol
Exact Mass337.06
IUPAC Name2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClFN3O3/c1-19(13-7-2-10(16)8-14(13)20(22)23)9-15(21)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeyJHTUASXTLVFGHR-UHFFFAOYSA-N
XLogP3.46
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 53.46
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-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-nitrobenzamide
CID 9182724
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
methyl 3-(4-chloro-N-methyl-2-nitroanilino)propanoate
CID 62005604
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623
4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-3-nitro-N-propan-2-ylbenzamide
CID 46560138
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonyl-3-nitrobenzamide
CID 9441312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide (CID 9183842) is 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is JHTUASXTLVFGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3/c1-19(13-7-2-10(16)8-14(13)20(22)23)9-15(21)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of 2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide?
2-(4-chloro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 337.74 g/mol, XLogP of 3.46, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9183842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).