N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide

C16H17N3O5 — CID 2984647

IUPACN-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O5/c20-16(17-11-13-2-1-7-24-13)14-10-12(19(21)22)3-4-15(14)18-5-8-23-9-6-18/h1-4,7,10H,5-6,8-9,11H2,(H,17,20)
InChIKeyOOQJJDYDPICUOX-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.95
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 2984647) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID2984647
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O5/c20-16(17-11-13-2-1-7-24-13)14-10-12(19(21)22)3-4-15(14)18-5-8-23-9-6-18/h1-4,7,10H,5-6,8-9,11H2,(H,17,20)
InChIKeyOOQJJDYDPICUOX-UHFFFAOYSA-N
XLogP1.95
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-(3,5-Dinitrobenzoyl)piperazin-1-yl)(furan-2-yl)methanone
CID 1931247
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-[4-(4-benzoyl-1-piperazinyl)phenyl]-5-nitro-2-furamide
CID 2980954
4-chloro-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 676074
1-(2-Methylphenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 785711
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-[2-(2-furyl)-1-(4-morpholinylcarbonyl)vinyl]-4-nitrobenzamide
CID 1204381
N-(2-furylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 2265927
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 2407144
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 2567467
1-Ethyl-4-(furan-2-ylmethylamino)-3-nitroquinolin-2-one
CID 3527462

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 2984647) is N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide is O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is OOQJJDYDPICUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-16(17-11-13-2-1-7-24-13)14-10-12(19(21)22)3-4-15(14)18-5-8-23-9-6-18/h1-4,7,10H,5-6,8-9,11H2,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 331.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 2984647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).