2,4-dinitro-6-phenoxy-N-phenylbenzamide

C19H13N3O6 — CID 10714726

IUPAC2,4-dinitro-6-phenoxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1c(Oc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H13N3O6/c23-19(20-13-7-3-1-4-8-13)18-16(22(26)27)11-14(21(24)25)12-17(18)28-15-9-5-2-6-10-15/h1-12H,(H,20,23)
InChIKeyYAIKRSSXNPIEDZ-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.55
Rot. Bonds6

About 2,4-dinitro-6-phenoxy-N-phenylbenzamide

2,4-dinitro-6-phenoxy-N-phenylbenzamide (PubChem CID 10714726) has the molecular formula C19H13N3O6 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2,4-dinitro-6-phenoxy-N-phenylbenzamide.

Molecular Properties

Compound Name2,4-dinitro-6-phenoxy-N-phenylbenzamide
PubChem CID10714726
Molecular FormulaC19H13N3O6
Molecular Weight379.33 g/mol
Exact Mass379.08
IUPAC Name2,4-dinitro-6-phenoxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1c(Oc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H13N3O6/c23-19(20-13-7-3-1-4-8-13)18-16(22(26)27)11-14(21(24)25)12-17(18)28-15-9-5-2-6-10-15/h1-12H,(H,20,23)
InChIKeyYAIKRSSXNPIEDZ-UHFFFAOYSA-N
XLogP4.55
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.55
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

N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
4-[(2,4,6-trinitrobenzoyl)amino]benzoic acid
CID 151925186
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
CID 101025595
4-(2,4-dinitrophenoxy)-N-phenylaniline
CID 9281115
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-phenoxy-N-phenylbenzamide?
The IUPAC name of 2,4-dinitro-6-phenoxy-N-phenylbenzamide (CID 10714726) is 2,4-dinitro-6-phenoxy-N-phenylbenzamide.
What is the SMILES notation for 2,4-dinitro-6-phenoxy-N-phenylbenzamide?
The canonical SMILES for 2,4-dinitro-6-phenoxy-N-phenylbenzamide is O=C(Nc1ccccc1)c1c(Oc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-6-phenoxy-N-phenylbenzamide?
The InChIKey is YAIKRSSXNPIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O6/c23-19(20-13-7-3-1-4-8-13)18-16(22(26)27)11-14(21(24)25)12-17(18)28-15-9-5-2-6-10-15/h1-12H,(H,20,23).
What are the key properties of 2,4-dinitro-6-phenoxy-N-phenylbenzamide?
2,4-dinitro-6-phenoxy-N-phenylbenzamide has a molecular weight of 379.33 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-6-phenoxy-N-phenylbenzamide is sourced from PubChem (CID 10714726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).