4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide

C14H17FN2O3 — CID 83097227

IUPAC4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-3-4-10(11(15)7-9)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyAQOAXHFDISCCND-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.72
Rot. Bonds2

About 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide

4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83097227) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83097227
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-3-4-10(11(15)7-9)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyAQOAXHFDISCCND-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide (CID 83097227) is 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(C)cc1F.
What is the InChIKey of 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is AQOAXHFDISCCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-3-4-10(11(15)7-9)14(19)17-5-6-20-8-12(17)13(18)16-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).