1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide

C24H23N3O8 — CID 1116125

IUPAC1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-5-7-21(34-3)19(12-17)25-23(28)14-9-15(11-16(10-14)27(30)31)24(29)26-20-13-18(33-2)6-8-22(20)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyDLLXTBDMGRMHNK-UHFFFAOYSA-N
MW481.46 g/mol
LogP4.13
Rot. Bonds9

About 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide

1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide (PubChem CID 1116125) has the molecular formula C24H23N3O8 and a molecular weight of 481.46 g/mol. Its IUPAC name is 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
PubChem CID1116125
Molecular FormulaC24H23N3O8
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC Name1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-5-7-21(34-3)19(12-17)25-23(28)14-9-15(11-16(10-14)27(30)31)24(29)26-20-13-18(33-2)6-8-22(20)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyDLLXTBDMGRMHNK-UHFFFAOYSA-N
XLogP4.13
TPSA138.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
methyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 1279641
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
CID 173063036
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
methyl 3-[(3-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 743798
N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
CID 17440781
1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea
CID 118706460
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide (CID 1116125) is 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide is COc1ccc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)cc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide?
The InChIKey is DLLXTBDMGRMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O8/c1-32-17-5-7-21(34-3)19(12-17)25-23(28)14-9-15(11-16(10-14)27(30)31)24(29)26-20-13-18(33-2)6-8-22(20)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide?
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide has a molecular weight of 481.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide is sourced from PubChem (CID 1116125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).