N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide

C9H6ClF3N2O3 — CID 134828491

IUPACN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClF3N2O3/c1-4(16)14-8-6(10)2-5(9(11,12)13)3-7(8)15(17)18/h2-3H,1H3,(H,14,16)
InChIKeyWVJJGJQWVCPIDF-UHFFFAOYSA-N
MW282.61 g/mol
LogP3.23
Rot. Bonds2

About N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide

N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 134828491) has the molecular formula C9H6ClF3N2O3 and a molecular weight of 282.61 g/mol. Its IUPAC name is N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID134828491
Molecular FormulaC9H6ClF3N2O3
Molecular Weight282.61 g/mol
Exact Mass282.00
IUPAC NameN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClF3N2O3/c1-4(16)14-8-6(10)2-5(9(11,12)13)3-7(8)15(17)18/h2-3H,1H3,(H,14,16)
InChIKeyWVJJGJQWVCPIDF-UHFFFAOYSA-N
XLogP3.23
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.61
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70120337
N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
CID 91674197
N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide
CID 14209901
2-(4-tert-butyl-2-chloro-6-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168607464
2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methylpropanamide
CID 154362237
2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
CID 16379
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
2,6-dinitro-N-[(Z)-pentan-2-ylideneamino]-4-(trifluoromethyl)aniline
CID 9012399
3-[2-chloro-6-nitro-4-(trifluoromethyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559022

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide (CID 134828491) is N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WVJJGJQWVCPIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O3/c1-4(16)14-8-6(10)2-5(9(11,12)13)3-7(8)15(17)18/h2-3H,1H3,(H,14,16).
What are the key properties of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide?
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 282.61 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 134828491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).