2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

C15H17F2N5O2 — CID 126774661

IUPAC2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1cnc(CNC(=O)N2CCOC(c3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C15H17F2N5O2/c1-21-9-19-14(20-21)7-18-15(23)22-4-5-24-13(8-22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,23)
InChIKeyVQDSUXSFZJLAMS-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.38
Rot. Bonds3

About 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 126774661) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID126774661
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1cnc(CNC(=O)N2CCOC(c3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C15H17F2N5O2/c1-21-9-19-14(20-21)7-18-15(23)22-4-5-24-13(8-22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,23)
InChIKeyVQDSUXSFZJLAMS-UHFFFAOYSA-N
XLogP1.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 95187138
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120930576
(2R)-2-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 129369467

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 126774661) is 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is Cn1cnc(CNC(=O)N2CCOC(c3ccc(F)c(F)c3)C2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is VQDSUXSFZJLAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-21-9-19-14(20-21)7-18-15(23)22-4-5-24-13(8-22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,23).
What are the key properties of 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 126774661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).