N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide

C15H13ClFN3O3 — CID 9102471

IUPACN-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)Nc2ccc(Cl)cc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClFN3O3/c1-9-12(3-2-4-14(9)20(22)23)18-8-15(21)19-13-6-5-10(16)7-11(13)17/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyBWNAKTNYAMDDSO-UHFFFAOYSA-N
MW337.74 g/mol
LogP3.75
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide (PubChem CID 9102471) has the molecular formula C15H13ClFN3O3 and a molecular weight of 337.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
PubChem CID9102471
Molecular FormulaC15H13ClFN3O3
Molecular Weight337.74 g/mol
Exact Mass337.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)Nc2ccc(Cl)cc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClFN3O3/c1-9-12(3-2-4-14(9)20(22)23)18-8-15(21)19-13-6-5-10(16)7-11(13)17/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyBWNAKTNYAMDDSO-UHFFFAOYSA-N
XLogP3.75
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 53.75
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

2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9195708
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide (CID 9102471) is N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide is Cc1c(NCC(=O)Nc2ccc(Cl)cc2F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The InChIKey is BWNAKTNYAMDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3/c1-9-12(3-2-4-14(9)20(22)23)18-8-15(21)19-13-6-5-10(16)7-11(13)17/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide has a molecular weight of 337.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide is sourced from PubChem (CID 9102471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).