N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide

C15H12N4O6 — CID 26906332

IUPACN-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H12N4O6/c1-16-14(20)9-2-4-11(5-3-9)17-15(21)10-6-12(18(22)23)8-13(7-10)19(24)25/h2-8H,1H3,(H,16,20)(H,17,21)
InChIKeyUKDULPWNWGUIMG-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.11
Rot. Bonds5

About N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide

N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide (PubChem CID 26906332) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
PubChem CID26906332
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H12N4O6/c1-16-14(20)9-2-4-11(5-3-9)17-15(21)10-6-12(18(22)23)8-13(7-10)19(24)25/h2-8H,1H3,(H,16,20)(H,17,21)
InChIKeyUKDULPWNWGUIMG-UHFFFAOYSA-N
XLogP2.11
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
N-[4-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17201208
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
N-(3,4-dimethylphenyl)-3,5-dinitrobenzamide
CID 5181913
2-methoxyethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate
CID 19169304
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
1-N,3-N-bis[4-[3-(diethylamino)propylcarbamoyl]phenyl]-5-nitrobenzene-1,3-dicarboxamide
CID 122202498
3,5-dinitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 7304298
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide (CID 26906332) is N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide is CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The InChIKey is UKDULPWNWGUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-16-14(20)9-2-4-11(5-3-9)17-15(21)10-6-12(18(22)23)8-13(7-10)19(24)25/h2-8H,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide has a molecular weight of 344.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 26906332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).