N-(3,4,6-trichloro-2-nitrophenyl)acetamide

C8H5Cl3N2O3 — CID 4582781

IUPACN-(3,4,6-trichloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl3N2O3/c1-3(14)12-7-5(10)2-4(9)6(11)8(7)13(15)16/h2H,1H3,(H,12,14)
InChIKeyDLGBJVCWDXYHMM-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.51
Rot. Bonds2

About N-(3,4,6-trichloro-2-nitrophenyl)acetamide

N-(3,4,6-trichloro-2-nitrophenyl)acetamide (PubChem CID 4582781) has the molecular formula C8H5Cl3N2O3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-(3,4,6-trichloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4,6-trichloro-2-nitrophenyl)acetamide
PubChem CID4582781
Molecular FormulaC8H5Cl3N2O3
Molecular Weight283.50 g/mol
Exact Mass281.94
IUPAC NameN-(3,4,6-trichloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl3N2O3/c1-3(14)12-7-5(10)2-4(9)6(11)8(7)13(15)16/h2H,1H3,(H,12,14)
InChIKeyDLGBJVCWDXYHMM-UHFFFAOYSA-N
XLogP3.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-(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-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131861925
1,2,5-trichloro-4-methyl-3-nitrobenzene
CID 71376791
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide
CID 16640841
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
3,4,6-trichloro-2-nitroaniline
CID 3397577
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042

Frequently Asked Questions

What is the IUPAC name of N-(3,4,6-trichloro-2-nitrophenyl)acetamide?
The IUPAC name of N-(3,4,6-trichloro-2-nitrophenyl)acetamide (CID 4582781) is N-(3,4,6-trichloro-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3,4,6-trichloro-2-nitrophenyl)acetamide?
The canonical SMILES for N-(3,4,6-trichloro-2-nitrophenyl)acetamide is CC(=O)Nc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of N-(3,4,6-trichloro-2-nitrophenyl)acetamide?
The InChIKey is DLGBJVCWDXYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3N2O3/c1-3(14)12-7-5(10)2-4(9)6(11)8(7)13(15)16/h2H,1H3,(H,12,14).
What are the key properties of N-(3,4,6-trichloro-2-nitrophenyl)acetamide?
N-(3,4,6-trichloro-2-nitrophenyl)acetamide has a molecular weight of 283.50 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6-trichloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 4582781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).