4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide

C18H19N3O5 — CID 2162625

IUPAC4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H19N3O5/c1-3-4-17(22)19-13-7-5-12(6-8-13)18(23)20-15-11-14(21(24)25)9-10-16(15)26-2/h5-11H,3-4H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQSRPDJBCSMCSMA-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.59
Rot. Bonds7

About 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide

4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 2162625) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID2162625
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H19N3O5/c1-3-4-17(22)19-13-7-5-12(6-8-13)18(23)20-15-11-14(21(24)25)9-10-16(15)26-2/h5-11H,3-4H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQSRPDJBCSMCSMA-UHFFFAOYSA-N
XLogP3.59
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.59
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

4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide (CID 2162625) is 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is QSRPDJBCSMCSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-4-17(22)19-13-7-5-12(6-8-13)18(23)20-15-11-14(21(24)25)9-10-16(15)26-2/h5-11H,3-4H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide?
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 2162625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).