N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide

C10H9ClN2O4 — CID 53401332

IUPACN-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN2O4/c1-6(14)12(7(2)15)9-4-3-8(11)5-10(9)13(16)17/h3-5H,1-2H3
InChIKeyAAXVXRONYAUOBD-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.15
Rot. Bonds2

About N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide

N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide (PubChem CID 53401332) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
PubChem CID53401332
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC NameN-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN2O4/c1-6(14)12(7(2)15)9-4-3-8(11)5-10(9)13(16)17/h3-5H,1-2H3
InChIKeyAAXVXRONYAUOBD-UHFFFAOYSA-N
XLogP2.15
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
2-(4-chloro-N-ethyl-2-nitroanilino)acetic acid
CID 54900140
N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide
CID 135083420
2-(4-chloro-N-ethyl-2-nitroanilino)-2-methylpropanoic acid
CID 62819612
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
methyl 3-(4-chloro-N-methyl-2-nitroanilino)propanoate
CID 62005604
(4-chloro-2-nitro-N-nitrosoanilino) nitrate
CID 19994155
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
CID 153374065
1-(4-chloro-N-ethyl-2-nitroanilino)-2-methylpropan-2-ol
CID 79389494
methyl 3-(4-chloro-N-methyl-2-nitroanilino)-2-methylpropanoate
CID 62005975
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide?
The IUPAC name of N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide (CID 53401332) is N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide.
What is the SMILES notation for N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide?
The canonical SMILES for N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide is CC(=O)N(C(C)=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide?
The InChIKey is AAXVXRONYAUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c1-6(14)12(7(2)15)9-4-3-8(11)5-10(9)13(16)17/h3-5H,1-2H3.
What are the key properties of N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide?
N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide has a molecular weight of 256.64 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 53401332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).