N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide

C15H15N3O5 — CID 2567467

IUPACN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1
InChIInChI=1S/C15H15N3O5/c19-14(17-10-13-2-1-9-23-13)7-8-16-15(20)11-3-5-12(6-4-11)18(21)22/h1-6,9H,7-8,10H2,(H,16,20)(H,17,19)
InChIKeyRZIITHKDWGZQPI-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide

N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide (PubChem CID 2567467) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide
PubChem CID2567467
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1
InChIInChI=1S/C15H15N3O5/c19-14(17-10-13-2-1-9-23-13)7-8-16-15(20)11-3-5-12(6-4-11)18(21)22/h1-6,9H,7-8,10H2,(H,16,20)(H,17,19)
InChIKeyRZIITHKDWGZQPI-UHFFFAOYSA-N
XLogP1.62
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.62
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 N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide (CID 2567467) is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide is O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is RZIITHKDWGZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-14(17-10-13-2-1-9-23-13)7-8-16-15(20)11-3-5-12(6-4-11)18(21)22/h1-6,9H,7-8,10H2,(H,16,20)(H,17,19).
What are the key properties of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide?
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 317.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 2567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).