3-fluoro-4-(morpholine-4-carbonyl)benzamide

C12H13FN2O3 — CID 68509173

IUPAC3-fluoro-4-(morpholine-4-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-7-8(11(14)16)1-2-9(10)12(17)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,14,16)
InChIKeyMLGCAVDKSXAGAI-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.40
Rot. Bonds2

About 3-fluoro-4-(morpholine-4-carbonyl)benzamide

3-fluoro-4-(morpholine-4-carbonyl)benzamide (PubChem CID 68509173) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-fluoro-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(morpholine-4-carbonyl)benzamide
PubChem CID68509173
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-fluoro-4-(morpholine-4-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-7-8(11(14)16)1-2-9(10)12(17)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,14,16)
InChIKeyMLGCAVDKSXAGAI-UHFFFAOYSA-N
XLogP0.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
[3,4-difluoro-5-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]-morpholin-4-ylmethanone
CID 165404002
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(2,4-difluorophenyl)-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 118741490

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of 3-fluoro-4-(morpholine-4-carbonyl)benzamide (CID 68509173) is 3-fluoro-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for 3-fluoro-4-(morpholine-4-carbonyl)benzamide is NC(=O)c1ccc(C(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is MLGCAVDKSXAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-10-7-8(11(14)16)1-2-9(10)12(17)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,14,16).
What are the key properties of 3-fluoro-4-(morpholine-4-carbonyl)benzamide?
3-fluoro-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 252.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 68509173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).