N-(2,3,5,6-tetrachlorophenyl)nitramide

C6H2Cl4N2O2 — CID 22755541

IUPACN-(2,3,5,6-tetrachlorophenyl)nitramide
SMILESO=[N+]([O-])Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C6H2Cl4N2O2/c7-2-1-3(8)5(10)6(4(2)9)11-12(13)14/h1,11H
InChIKeyAHSTZDNKAGCTKO-UHFFFAOYSA-N
MW275.91 g/mol
LogP3.90
Rot. Bonds2

About N-(2,3,5,6-tetrachlorophenyl)nitramide

N-(2,3,5,6-tetrachlorophenyl)nitramide (PubChem CID 22755541) has the molecular formula C6H2Cl4N2O2 and a molecular weight of 275.91 g/mol. Its IUPAC name is N-(2,3,5,6-tetrachlorophenyl)nitramide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrachlorophenyl)nitramide
PubChem CID22755541
Molecular FormulaC6H2Cl4N2O2
Molecular Weight275.91 g/mol
Exact Mass273.89
IUPAC NameN-(2,3,5,6-tetrachlorophenyl)nitramide
SMILESO=[N+]([O-])Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C6H2Cl4N2O2/c7-2-1-3(8)5(10)6(4(2)9)11-12(13)14/h1,11H
InChIKeyAHSTZDNKAGCTKO-UHFFFAOYSA-N
XLogP3.90
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.91
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-hydroxyphenyl)nitramide
CID 67934436
N-(5-chloro-2,4-difluorophenyl)nitramide
CID 57216899
N-(4,5-dichloro-2-pyridinyl)nitramide
CID 122446359
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
3,4,6-trichloro-2-nitroaniline
CID 3397577
1,2,5-trichloro-4-methyl-3-nitrobenzene
CID 71376791
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
N-(4-chloro-2-fluorophenyl)nitramide
CID 57292925
1,2-dichloro-5-(chloromethyl)-3-nitrobenzene
CID 130969109
morpholin-4-ium;3,4,6-trichloro-2-nitrophenolate
CID 134088419
1,2,5-trichloro-4-ethenyl-3-nitrobenzene
CID 87078021
N-(2,5-dichloro-3-pyridinyl)nitramide
CID 86161306

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrachlorophenyl)nitramide?
The IUPAC name of N-(2,3,5,6-tetrachlorophenyl)nitramide (CID 22755541) is N-(2,3,5,6-tetrachlorophenyl)nitramide.
What is the SMILES notation for N-(2,3,5,6-tetrachlorophenyl)nitramide?
The canonical SMILES for N-(2,3,5,6-tetrachlorophenyl)nitramide is O=[N+]([O-])Nc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-(2,3,5,6-tetrachlorophenyl)nitramide?
The InChIKey is AHSTZDNKAGCTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4N2O2/c7-2-1-3(8)5(10)6(4(2)9)11-12(13)14/h1,11H.
What are the key properties of N-(2,3,5,6-tetrachlorophenyl)nitramide?
N-(2,3,5,6-tetrachlorophenyl)nitramide has a molecular weight of 275.91 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrachlorophenyl)nitramide is sourced from PubChem (CID 22755541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).