4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide

C12H12FN3O5 — CID 83097346

IUPAC4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H12FN3O5/c13-9-2-1-7(16(19)20)5-8(9)12(18)15-3-4-21-6-10(15)11(14)17/h1-2,5,10H,3-4,6H2,(H2,14,17)
InChIKeyYNVPPCKYLUIEDZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP0.06
Rot. Bonds3

About 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide

4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide (PubChem CID 83097346) has the molecular formula C12H12FN3O5 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide
PubChem CID83097346
Molecular FormulaC12H12FN3O5
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H12FN3O5/c13-9-2-1-7(16(19)20)5-8(9)12(18)15-3-4-21-6-10(15)11(14)17/h1-2,5,10H,3-4,6H2,(H2,14,17)
InChIKeyYNVPPCKYLUIEDZ-UHFFFAOYSA-N
XLogP0.06
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
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

4-(2-chloro-3-nitrobenzoyl)morpholine-3-carboxamide
CID 115931399
2-(3-carbamoylmorpholin-4-yl)-5-nitrobenzoic acid
CID 83098123
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
CID 62059334
4-(3-chloro-2-nitrobenzoyl)morpholine-3-carboxamide
CID 83097351
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
1-(2-fluoro-5-nitrobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372033
(2-fluoro-5-nitrophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883164
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
CID 62169101

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide (CID 83097346) is 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide?
The InChIKey is YNVPPCKYLUIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O5/c13-9-2-1-7(16(19)20)5-8(9)12(18)15-3-4-21-6-10(15)11(14)17/h1-2,5,10H,3-4,6H2,(H2,14,17).
What are the key properties of 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide?
4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83097346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).