N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide

C19H21FN2O3 — CID 119758431

IUPACN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CNCCO2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-13-10-14(11-22-19(23)18-12-21-8-9-24-18)2-7-17(13)25-16-5-3-15(20)4-6-16/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyMDKGXXTUURTIJW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.53
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide

N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide (PubChem CID 119758431) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
PubChem CID119758431
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CNCCO2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-13-10-14(11-22-19(23)18-12-21-8-9-24-18)2-7-17(13)25-16-5-3-15(20)4-6-16/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyMDKGXXTUURTIJW-UHFFFAOYSA-N
XLogP2.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 119847525
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119754617
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
CID 154880178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide (CID 119758431) is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide is Cc1cc(CNC(=O)C2CNCCO2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide?
The InChIKey is MDKGXXTUURTIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13-10-14(11-22-19(23)18-12-21-8-9-24-18)2-7-17(13)25-16-5-3-15(20)4-6-16/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide?
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119758431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).