2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

C18H14ClF3N4O2 — CID 16549163

IUPAC2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C18H14ClF3N4O2/c1-11(28-14-4-2-3-13(19)8-14)17(27)25-15-7-12(18(20,21)22)5-6-16(15)26-10-23-9-24-26/h2-11H,1H3,(H,25,27)
InChIKeyHOFINSHTZPVVKH-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.35
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 16549163) has the molecular formula C18H14ClF3N4O2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID16549163
Molecular FormulaC18H14ClF3N4O2
Molecular Weight410.78 g/mol
Exact Mass410.08
IUPAC Name2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C18H14ClF3N4O2/c1-11(28-14-4-2-3-13(19)8-14)17(27)25-15-7-12(18(20,21)22)5-6-16(15)26-10-23-9-24-26/h2-11H,1H3,(H,25,27)
InChIKeyHOFINSHTZPVVKH-UHFFFAOYSA-N
XLogP4.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
2-(4-chlorophenoxy)-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16277977
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
2-(2-methoxyphenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 2710540
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 9454151
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 18084494
N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluoranylphenoxy)ethanamide
CID 18170239
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 18170240
2-(4-fluorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 24399025
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 24687018
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-phenoxybutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (CID 16549163) is 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HOFINSHTZPVVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2/c1-11(28-14-4-2-3-13(19)8-14)17(27)25-15-7-12(18(20,21)22)5-6-16(15)26-10-23-9-24-26/h2-11H,1H3,(H,25,27).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 410.78 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 16549163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).