N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide

C15H12N4O6 — CID 19174875

IUPACN-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-8-12(18(22)23)6-9(7-13(8)19(24)25)15(21)17-11-5-3-2-4-10(11)14(16)20/h2-7H,1H3,(H2,16,20)(H,17,21)
InChIKeyFGYLFCUVECVIEX-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.16
Rot. Bonds5

About N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide

N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide (PubChem CID 19174875) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
PubChem CID19174875
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-8-12(18(22)23)6-9(7-13(8)19(24)25)15(21)17-11-5-3-2-4-10(11)14(16)20/h2-7H,1H3,(H2,16,20)(H,17,21)
InChIKeyFGYLFCUVECVIEX-UHFFFAOYSA-N
XLogP2.16
TPSA158.47 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 ≤ 52.16
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-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-methyl-N-[2-(4-methylanilino)phenyl]-3,5-dinitrobenzamide
CID 108745001
4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
CID 27687727
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
4-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]-3,5-dinitrobenzamide
CID 171982729
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
2-benzamidobenzamide
CID 702115
N-(4-chloro-2-methylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174941
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
3-hydroxy-4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoic acid
CID 108744179
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoyl]amino]benzoate
CID 3383146

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide?
The IUPAC name of N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide (CID 19174875) is N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide?
The canonical SMILES for N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide is Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide?
The InChIKey is FGYLFCUVECVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-8-12(18(22)23)6-9(7-13(8)19(24)25)15(21)17-11-5-3-2-4-10(11)14(16)20/h2-7H,1H3,(H2,16,20)(H,17,21).
What are the key properties of N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide?
N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide has a molecular weight of 344.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide is sourced from PubChem (CID 19174875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).