3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

C14H16FN5O3 — CID 139007780

IUPAC3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H16FN5O3/c15-10-7-9(1-2-11(10)20-3-5-23-6-4-20)13(21)16-8-12-17-14(22)19-18-12/h1-2,7H,3-6,8H2,(H,16,21)(H2,17,18,19,22)
InChIKeyREWAZCXXTHVPPG-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.00
Rot. Bonds4

About 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 139007780) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID139007780
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H16FN5O3/c15-10-7-9(1-2-11(10)20-3-5-23-6-4-20)13(21)16-8-12-17-14(22)19-18-12/h1-2,7H,3-6,8H2,(H,16,21)(H2,17,18,19,22)
InChIKeyREWAZCXXTHVPPG-UHFFFAOYSA-N
XLogP0.00
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide with MolForge

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Related Compounds

2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
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N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
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3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
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3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
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N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 166261890
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 87025846
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
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N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
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3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
CID 69034763
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (CID 139007780) is 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is REWAZCXXTHVPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3/c15-10-7-9(1-2-11(10)20-3-5-23-6-4-20)13(21)16-8-12-17-14(22)19-18-12/h1-2,7H,3-6,8H2,(H,16,21)(H2,17,18,19,22).
What are the key properties of 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 321.31 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 139007780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).