N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide

C11H10Cl2N2O4 — CID 131861925

IUPACN-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C)c(C(=O)CCl)c1[N+](=O)[O-]
InChIInChI=1S/C11H10Cl2N2O4/c1-5-3-7(13)10(14-6(2)16)11(15(18)19)9(5)8(17)4-12/h3H,4H2,1-2H3,(H,14,16)
InChIKeyRFZRGDZSQLFEPA-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.94
Rot. Bonds4

About N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide

N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide (PubChem CID 131861925) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
PubChem CID131861925
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC NameN-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C)c(C(=O)CCl)c1[N+](=O)[O-]
InChIInChI=1S/C11H10Cl2N2O4/c1-5-3-7(13)10(14-6(2)16)11(15(18)19)9(5)8(17)4-12/h3H,4H2,1-2H3,(H,14,16)
InChIKeyRFZRGDZSQLFEPA-UHFFFAOYSA-N
XLogP2.94
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131862024
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
N-(3,6-dichloro-2-nitrophenyl)acetamide
CID 70604003
methyl 4-acetamido-5-chloro-2-hydroxy-3-nitrobenzoate
CID 15125648
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243
2-chloro-1-(2-chloro-4-fluoro-6-methylphenyl)ethanone
CID 130951493
2-chloro-1-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
1-(3-amino-6-chloro-2-nitrophenyl)-2-chloroethanone
CID 171022400
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide?
The IUPAC name of N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide (CID 131861925) is N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide?
The canonical SMILES for N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide is CC(=O)Nc1c(Cl)cc(C)c(C(=O)CCl)c1[N+](=O)[O-].
What is the InChIKey of N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide?
The InChIKey is RFZRGDZSQLFEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c1-5-3-7(13)10(14-6(2)16)11(15(18)19)9(5)8(17)4-12/h3H,4H2,1-2H3,(H,14,16).
What are the key properties of N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide?
N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide has a molecular weight of 305.12 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide is sourced from PubChem (CID 131861925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).