N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide

C15H13N3O4 — CID 177490197

IUPACN-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide
SMILES[H]/N=C(/NC(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13N3O4/c1-22-11-7-8-12(13(9-11)18(20)21)15(19)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19)
InChIKeyWDBQZFLYEONRMQ-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.36
Rot. Bonds4

About N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide

N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide (PubChem CID 177490197) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide
PubChem CID177490197
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide
SMILES[H]/N=C(/NC(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13N3O4/c1-22-11-7-8-12(13(9-11)18(20)21)15(19)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19)
InChIKeyWDBQZFLYEONRMQ-UHFFFAOYSA-N
XLogP2.36
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-phenylbenzamide
CID 4939789
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
2-methylprop-2-enyl 4-methoxy-2-nitrobenzoate
CID 125486354
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163

Frequently Asked Questions

What is the IUPAC name of N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide (CID 177490197) is N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide is [H]/N=C(/NC(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide?
The InChIKey is WDBQZFLYEONRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-11-7-8-12(13(9-11)18(20)21)15(19)17-14(16)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19).
What are the key properties of N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide?
N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide has a molecular weight of 299.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenecarboximidoyl)-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 177490197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).