N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide

C18H17ClN4O2 — CID 25163662

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-2-13-4-3-5-15(8-13)25-10-18(24)22-16-9-14(19)6-7-17(16)23-12-20-11-21-23/h3-9,11-12H,2,10H2,1H3,(H,22,24)
InChIKeyBFFSBEFKRSQQEP-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.50
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide (PubChem CID 25163662) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide
PubChem CID25163662
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-2-13-4-3-5-15(8-13)25-10-18(24)22-16-9-14(19)6-7-17(16)23-12-20-11-21-23/h3-9,11-12H,2,10H2,1H3,(H,22,24)
InChIKeyBFFSBEFKRSQQEP-UHFFFAOYSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.50
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-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16549163
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 9454151
4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 16263407
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18084485
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]-4-ethoxy-3-methoxybenzamide
CID 24686711

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide (CID 25163662) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The InChIKey is BFFSBEFKRSQQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-13-4-3-5-15(8-13)25-10-18(24)22-16-9-14(19)6-7-17(16)23-12-20-11-21-23/h3-9,11-12H,2,10H2,1H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 25163662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).