5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide

C14H15F2N5O3 — CID 154742273

IUPAC5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2N5O3/c1-17-13(23)11-12(20-21-19-11)18-10(22)7-4-8-2-5-9(6-3-8)24-14(15)16/h2-3,5-6,14H,4,7H2,1H3,(H,17,23)(H2,18,19,20,21,22)
InChIKeyXKQQIDPAYDWQGJ-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.34
Rot. Bonds7

About 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide

5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 154742273) has the molecular formula C14H15F2N5O3 and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide
PubChem CID154742273
Molecular FormulaC14H15F2N5O3
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2N5O3/c1-17-13(23)11-12(20-21-19-11)18-10(22)7-4-8-2-5-9(6-3-8)24-14(15)16/h2-3,5-6,14H,4,7H2,1H3,(H,17,23)(H2,18,19,20,21,22)
InChIKeyXKQQIDPAYDWQGJ-UHFFFAOYSA-N
XLogP1.34
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
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CID 78848125
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
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N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
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2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
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CID 35556031

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide (CID 154742273) is 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide is CNC(=O)c1n[nH]nc1NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is XKQQIDPAYDWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O3/c1-17-13(23)11-12(20-21-19-11)18-10(22)7-4-8-2-5-9(6-3-8)24-14(15)16/h2-3,5-6,14H,4,7H2,1H3,(H,17,23)(H2,18,19,20,21,22).
What are the key properties of 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide?
5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 154742273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).