N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide

C19H21FN2O3 — CID 56824525

IUPACN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-14-11-17(25-13-15-3-2-4-16(20)12-15)5-6-18(14)21-19(23)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyOEFKMWVEDXFAIU-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.58
Rot. Bonds4

About N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide

N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide (PubChem CID 56824525) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide
PubChem CID56824525
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-14-11-17(25-13-15-3-2-4-16(20)12-15)5-6-18(14)21-19(23)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyOEFKMWVEDXFAIU-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide (CID 56824525) is N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide is Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide?
The InChIKey is OEFKMWVEDXFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-11-17(25-13-15-3-2-4-16(20)12-15)5-6-18(14)21-19(23)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide?
N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 56824525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).