N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide

C20H14ClN3O6 — CID 18268134

IUPACN-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(Oc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H14ClN3O6/c21-15-11-10-14(12-17(15)24(28)29)22-20(25)19(13-6-2-1-3-7-13)30-18-9-5-4-8-16(18)23(26)27/h1-12,19H,(H,22,25)
InChIKeyBSGSGJJXKNSOMQ-UHFFFAOYSA-N
MW427.80 g/mol
LogP4.92
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide

N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide (PubChem CID 18268134) has the molecular formula C20H14ClN3O6 and a molecular weight of 427.80 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
PubChem CID18268134
Molecular FormulaC20H14ClN3O6
Molecular Weight427.80 g/mol
Exact Mass427.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(Oc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H14ClN3O6/c21-15-11-10-14(12-17(15)24(28)29)22-20(25)19(13-6-2-1-3-7-13)30-18-9-5-4-8-16(18)23(26)27/h1-12,19H,(H,22,25)
InChIKeyBSGSGJJXKNSOMQ-UHFFFAOYSA-N
XLogP4.92
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.80
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 16539342
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863188
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7698662
[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] butanoate
CID 42963105
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722310
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 25398453
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-phenylethyl]azanium
CID 8898657
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-methylsulfonylbenzoate
CID 2528252
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 42982616
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3275451

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide (CID 18268134) is N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(Oc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide?
The InChIKey is BSGSGJJXKNSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O6/c21-15-11-10-14(12-17(15)24(28)29)22-20(25)19(13-6-2-1-3-7-13)30-18-9-5-4-8-16(18)23(26)27/h1-12,19H,(H,22,25).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide?
N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide has a molecular weight of 427.80 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide is sourced from PubChem (CID 18268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).