N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide

C14H8Cl2F3N3O4 — CID 14209901

IUPACN-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl2F3N3O4/c1-6(23)20-13-10(22(24)25)2-3-11(21-13)26-12-8(15)4-7(5-9(12)16)14(17,18)19/h2-5H,1H3,(H,20,21,23)
InChIKeyQSZLQHROPMCNQF-UHFFFAOYSA-N
MW410.14 g/mol
LogP5.07
Rot. Bonds4

About N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide

N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide (PubChem CID 14209901) has the molecular formula C14H8Cl2F3N3O4 and a molecular weight of 410.14 g/mol. Its IUPAC name is N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide
PubChem CID14209901
Molecular FormulaC14H8Cl2F3N3O4
Molecular Weight410.14 g/mol
Exact Mass408.98
IUPAC NameN-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl2F3N3O4/c1-6(23)20-13-10(22(24)25)2-3-11(21-13)26-12-8(15)4-7(5-9(12)16)14(17,18)19/h2-5H,1H3,(H,20,21,23)
InChIKeyQSZLQHROPMCNQF-UHFFFAOYSA-N
XLogP5.07
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.14
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]-2-hydroxypropanoic acid
CID 70422028
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid chloride
CID 86739293
1,3-dichloro-2-[3-[chloro(ethyl)phosphoryl]-4-nitrophenoxy]-5-(trifluoromethyl)benzene
CID 54115191
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
(2-methoxy-2-oxoethyl) 5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
CID 13092253
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-[6-(ethylamino)-3-nitro-2-pyridinyl]propanamide
CID 141423405
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
CID 155268546
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N',N'-dimethyl-2-nitrobenzohydrazide
CID 67920274
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266

Frequently Asked Questions

What is the IUPAC name of N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide (CID 14209901) is N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide is CC(=O)Nc1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide?
The InChIKey is QSZLQHROPMCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N3O4/c1-6(23)20-13-10(22(24)25)2-3-11(21-13)26-12-8(15)4-7(5-9(12)16)14(17,18)19/h2-5H,1H3,(H,20,21,23).
What are the key properties of N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide?
N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide has a molecular weight of 410.14 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide is sourced from PubChem (CID 14209901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).