N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide

C17H19N3O5 — CID 7217179

IUPACN-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-8-25-16)19-6-9-24-10-7-19/h1-5,8,11,15H,6-7,9-10,12H2,(H,18,21)/t15-/m0/s1
InChIKeyROWMJNNCZWRRGO-HNNXBMFYSA-N
MW345.36 g/mol
LogP1.99
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide

N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide (PubChem CID 7217179) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
PubChem CID7217179
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-8-25-16)19-6-9-24-10-7-19/h1-5,8,11,15H,6-7,9-10,12H2,(H,18,21)/t15-/m0/s1
InChIKeyROWMJNNCZWRRGO-HNNXBMFYSA-N
XLogP1.99
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide
CID 7162631
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46522286
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
CID 121145495
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 41234708
3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 110621303
N-[2-[(3-methyl-2-morpholin-4-ylbutyl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 55519085
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621275

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide (CID 7217179) is N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide is O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The InChIKey is ROWMJNNCZWRRGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-17(13-3-1-4-14(11-13)20(22)23)18-12-15(16-5-2-8-25-16)19-6-9-24-10-7-19/h1-5,8,11,15H,6-7,9-10,12H2,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide has a molecular weight of 345.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide is sourced from PubChem (CID 7217179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).