4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C19H19N3O5 — CID 2948675

IUPAC4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H19N3O5/c23-18(20-12-17-2-1-11-27-17)13-3-7-15(8-4-13)21-19(24)14-5-9-16(10-6-14)22(25)26/h3-10,17H,1-2,11-12H2,(H,20,23)(H,21,24)
InChIKeyFMMQTKGJDMMCJJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.76
Rot. Bonds6

About 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2948675) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2948675
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H19N3O5/c23-18(20-12-17-2-1-11-27-17)13-3-7-15(8-4-13)21-19(24)14-5-9-16(10-6-14)22(25)26/h3-10,17H,1-2,11-12H2,(H,20,23)(H,21,24)
InChIKeyFMMQTKGJDMMCJJ-UHFFFAOYSA-N
XLogP2.76
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2948675) is 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FMMQTKGJDMMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18(20-12-17-2-1-11-27-17)13-3-7-15(8-4-13)21-19(24)14-5-9-16(10-6-14)22(25)26/h3-10,17H,1-2,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 369.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2948675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).