N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide

C12H14FN3O4 — CID 81311080

IUPACN-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14FN3O4/c13-9-2-1-3-10(16(18)19)12(9)15-11(17)6-8-7-14-4-5-20-8/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyACJQPCAMQYYMCF-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.05
Rot. Bonds4

About N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide

N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide (PubChem CID 81311080) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
PubChem CID81311080
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC NameN-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14FN3O4/c13-9-2-1-3-10(16(18)19)12(9)15-11(17)6-8-7-14-4-5-20-8/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyACJQPCAMQYYMCF-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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

N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66433794
N-(2,6-dimethylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119676388
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
CID 81309920
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
2-morpholin-2-yl-N-pyrimidin-2-ylacetamide
CID 66435900

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide (CID 81311080) is N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide?
The InChIKey is ACJQPCAMQYYMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4/c13-9-2-1-3-10(16(18)19)12(9)15-11(17)6-8-7-14-4-5-20-8/h1-3,8,14H,4-7H2,(H,15,17).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide?
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide has a molecular weight of 283.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 81311080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).