5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide

C20H14N4O7 — CID 15745029

IUPAC5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(O)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H14N4O7/c25-18-8-12(19(26)21-14-3-1-5-16(10-14)23(28)29)7-13(9-18)20(27)22-15-4-2-6-17(11-15)24(30)31/h1-11,25H,(H,21,26)(H,22,27)
InChIKeyWIHSSGIVCGNOKH-UHFFFAOYSA-N
MW422.35 g/mol
LogP3.71
Rot. Bonds6

About 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide

5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide (PubChem CID 15745029) has the molecular formula C20H14N4O7 and a molecular weight of 422.35 g/mol. Its IUPAC name is 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
PubChem CID15745029
Molecular FormulaC20H14N4O7
Molecular Weight422.35 g/mol
Exact Mass422.09
IUPAC Name5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(O)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H14N4O7/c25-18-8-12(19(26)21-14-3-1-5-16(10-14)23(28)29)7-13(9-18)20(27)22-15-4-2-6-17(11-15)24(30)31/h1-11,25H,(H,21,26)(H,22,27)
InChIKeyWIHSSGIVCGNOKH-UHFFFAOYSA-N
XLogP3.71
TPSA164.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 43424540
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide (CID 15745029) is 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(O)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide?
The InChIKey is WIHSSGIVCGNOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O7/c25-18-8-12(19(26)21-14-3-1-5-16(10-14)23(28)29)7-13(9-18)20(27)22-15-4-2-6-17(11-15)24(30)31/h1-11,25H,(H,21,26)(H,22,27).
What are the key properties of 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide?
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide has a molecular weight of 422.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 15745029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).