4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide

C21H17N3O5 — CID 17153277

IUPAC4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O5/c1-29-19-13-17(24(27)28)11-12-18(19)23-21(26)15-7-9-16(10-8-15)22-20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyZVKNNFFBSHVVDQ-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.11
Rot. Bonds6

About 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide

4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 17153277) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID17153277
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O5/c1-29-19-13-17(24(27)28)11-12-18(19)23-21(26)15-7-9-16(10-8-15)22-20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyZVKNNFFBSHVVDQ-UHFFFAOYSA-N
XLogP4.11
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
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

1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60651141
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
CID 4049338

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide (CID 17153277) is 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is ZVKNNFFBSHVVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-29-19-13-17(24(27)28)11-12-18(19)23-21(26)15-7-9-16(10-8-15)22-20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide?
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 391.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 17153277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).