2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide

C12H14FN3O4 — CID 103548414

IUPAC2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
SMILESO=C(NCC1COCCN1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H14FN3O4/c13-11-5-9(16(18)19)1-2-10(11)12(17)15-6-8-7-20-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,17)
InChIKeyNCDAARXAVKMUSP-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.45
Rot. Bonds4

About 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide

2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide (PubChem CID 103548414) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
PubChem CID103548414
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
SMILESO=C(NCC1COCCN1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H14FN3O4/c13-11-5-9(16(18)19)1-2-10(11)12(17)15-6-8-7-20-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,17)
InChIKeyNCDAARXAVKMUSP-UHFFFAOYSA-N
XLogP0.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.45
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

2-methyl-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548415
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide
CID 120670675
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 120670674
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
2-iodo-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549331
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
CID 103548627
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide (CID 103548414) is 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide is O=C(NCC1COCCN1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide?
The InChIKey is NCDAARXAVKMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4/c13-11-5-9(16(18)19)1-2-10(11)12(17)15-6-8-7-20-4-3-14-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,17).
What are the key properties of 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide?
2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide has a molecular weight of 283.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide is sourced from PubChem (CID 103548414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).