N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide

C15H14N4O4 — CID 17180814

IUPACN-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-9H,1H3,(H,16,20)(H2,17,18,21)
InChIKeyUHAHPVBOSAPXHU-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide

N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide (PubChem CID 17180814) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
PubChem CID17180814
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-9H,1H3,(H,16,20)(H2,17,18,21)
InChIKeyUHAHPVBOSAPXHU-UHFFFAOYSA-N
XLogP2.60
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(3-nitrophenyl)benzamide
CID 38763493
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide?
The IUPAC name of N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide (CID 17180814) is N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide is CNC(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide?
The InChIKey is UHAHPVBOSAPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-16-14(20)10-5-7-11(8-6-10)17-15(21)18-12-3-2-4-13(9-12)19(22)23/h2-9H,1H3,(H,16,20)(H2,17,18,21).
What are the key properties of N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide?
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide has a molecular weight of 314.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 17180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).