N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide

C13H17FN2O3 — CID 112701655

IUPACN-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2COCCN2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-2-19-12-4-3-9(7-10(12)14)16-13(17)11-8-18-6-5-15-11/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyMGUPBRIOKBQRMB-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.15
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide

N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide (PubChem CID 112701655) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
PubChem CID112701655
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2COCCN2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-2-19-12-4-3-9(7-10(12)14)16-13(17)11-8-18-6-5-15-11/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyMGUPBRIOKBQRMB-UHFFFAOYSA-N
XLogP1.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
CID 119688738
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide (CID 112701655) is N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide is CCOc1ccc(NC(=O)C2COCCN2)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide?
The InChIKey is MGUPBRIOKBQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-19-12-4-3-9(7-10(12)14)16-13(17)11-8-18-6-5-15-11/h3-4,7,11,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide?
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 112701655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).