3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide

C13H17FN2O2 — CID 43603078

IUPAC3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CNCCO2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(6-12(9)14)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyCYIBXNDAWMUTQG-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.85
Rot. Bonds3

About 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide

3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 43603078) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
PubChem CID43603078
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CNCCO2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(6-12(9)14)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyCYIBXNDAWMUTQG-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
CID 119704143
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
CID 126426495
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide (CID 43603078) is 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CNCCO2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is CYIBXNDAWMUTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-2-3-10(6-12(9)14)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide?
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 43603078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).