1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide

C19H17F2N5O3 — CID 68518230

IUPAC1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(C(N)=O)nn2)c(OCc2c(F)cccc2F)c1
InChIInChI=1S/C19H17F2N5O3/c1-2-23-19(28)11-6-7-16(26-9-15(18(22)27)24-25-26)17(8-11)29-10-12-13(20)4-3-5-14(12)21/h3-9H,2,10H2,1H3,(H2,22,27)(H,23,28)
InChIKeyVEVOOPVHYNNZSG-UHFFFAOYSA-N
MW401.37 g/mol
LogP1.97
Rot. Bonds7

About 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide

1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide (PubChem CID 68518230) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
PubChem CID68518230
Molecular FormulaC19H17F2N5O3
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2cc(C(N)=O)nn2)c(OCc2c(F)cccc2F)c1
InChIInChI=1S/C19H17F2N5O3/c1-2-23-19(28)11-6-7-16(26-9-15(18(22)27)24-25-26)17(8-11)29-10-12-13(20)4-3-5-14(12)21/h3-9H,2,10H2,1H3,(H2,22,27)(H,23,28)
InChIKeyVEVOOPVHYNNZSG-UHFFFAOYSA-N
XLogP1.97
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]triazole-4-carboxamide
CID 87800448
N-[(2,6-difluorophenyl)methyl]-1-[2-[2-(2-fluoroethoxy)ethoxy]-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 87799992
1-[4-(ethylcarbamoyl)-2-pent-4-enoxyphenyl]-N-phenylmethoxytriazole-4-carboxamide
CID 87800049
1-[4-(ethylcarbamoyl)-2-(6-fluorohexoxy)phenyl]-N-(1-hydroxypropan-2-yl)triazole-4-carboxamide
CID 69369769
N-[[3-(difluoromethoxy)phenyl]methyl]-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]triazole-4-carboxamide
CID 87800032
1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 87800570
1-[4-(ethylcarbamoyl)-2-(6-fluorohexoxy)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]triazole-4-carboxamide
CID 69369802
1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 87800807
N-[2-(3-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]triazole-4-carboxamide
CID 87800708
1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-N-[(1-methylbenzotriazol-5-yl)methyl]triazole-4-carboxamide
CID 87800280
ethyl 1-(3-fluoro-2-methylphenyl)triazole-4-carboxylate
CID 122241161
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide (CID 68518230) is 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide is CCNC(=O)c1ccc(-n2cc(C(N)=O)nn2)c(OCc2c(F)cccc2F)c1.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
The InChIKey is VEVOOPVHYNNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-2-23-19(28)11-6-7-16(26-9-15(18(22)27)24-25-26)17(8-11)29-10-12-13(20)4-3-5-14(12)21/h3-9H,2,10H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide?
1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methoxy]-4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 68518230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).