2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C18H16F2N4O2 — CID 55751613

IUPAC2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C18H16F2N4O2/c19-15-4-5-17(16(20)7-15)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25)
InChIKeyJXVUQCZWKFRYBG-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.30
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55751613) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55751613
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCc1cccc(Cn2cncn2)c1
InChIInChI=1S/C18H16F2N4O2/c19-15-4-5-17(16(20)7-15)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25)
InChIKeyJXVUQCZWKFRYBG-UHFFFAOYSA-N
XLogP2.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47058694
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
1-[(2,5-difluorophenyl)methyl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 56826977
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
3-(4-fluorophenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 38755360
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55769192
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673353

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55751613) is 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(F)cc1F)NCc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is JXVUQCZWKFRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-15-4-5-17(16(20)7-15)26-10-18(25)22-8-13-2-1-3-14(6-13)9-24-12-21-11-23-24/h1-7,11-12H,8-10H2,(H,22,25).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 358.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55751613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).