2,4-dimethoxy-N-(2-nitrophenyl)benzamide

C15H14N2O5 — CID 5149681

IUPAC2,4-dimethoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-10-7-8-11(14(9-10)22-2)15(18)16-12-5-3-4-6-13(12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyILRQZKOUPHOTQU-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.86
Rot. Bonds5

About 2,4-dimethoxy-N-(2-nitrophenyl)benzamide

2,4-dimethoxy-N-(2-nitrophenyl)benzamide (PubChem CID 5149681) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-nitrophenyl)benzamide
PubChem CID5149681
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2,4-dimethoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-10-7-8-11(14(9-10)22-2)15(18)16-12-5-3-4-6-13(12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyILRQZKOUPHOTQU-UHFFFAOYSA-N
XLogP2.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2-nitrophenyl)benzamide (CID 5149681) is 2,4-dimethoxy-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2-nitrophenyl)benzamide?
The InChIKey is ILRQZKOUPHOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-10-7-8-11(14(9-10)22-2)15(18)16-12-5-3-4-6-13(12)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of 2,4-dimethoxy-N-(2-nitrophenyl)benzamide?
2,4-dimethoxy-N-(2-nitrophenyl)benzamide has a molecular weight of 302.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 5149681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).