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

C23H19ClN4O2 — CID 9454151

IUPAC2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C23H19ClN4O2/c24-19-10-11-21(28-16-25-15-26-28)20(13-19)27-23(29)14-30-22-9-5-4-8-18(22)12-17-6-2-1-3-7-17/h1-11,13,15-16H,12,14H2,(H,27,29)
InChIKeyRGPVQZHFUOAOAX-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.53
Rot. Bonds7

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

2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 9454151) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID9454151
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C23H19ClN4O2/c24-19-10-11-21(28-16-25-15-26-28)20(13-19)27-23(29)14-30-22-9-5-4-8-18(22)12-17-6-2-1-3-7-17/h1-11,13,15-16H,12,14H2,(H,27,29)
InChIKeyRGPVQZHFUOAOAX-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.53
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
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
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
CID 24982705
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 25163662

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 9454151) is 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is RGPVQZHFUOAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-19-10-11-21(28-16-25-15-26-28)20(13-19)27-23(29)14-30-22-9-5-4-8-18(22)12-17-6-2-1-3-7-17/h1-11,13,15-16H,12,14H2,(H,27,29).
What are the key properties of 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 418.88 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 9454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).