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

C18H17ClN4O2 — CID 8794626

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C
InChIInChI=1S/C18H17ClN4O2/c1-12-4-3-5-17(13(12)2)25-9-18(24)22-15-8-14(19)6-7-16(15)23-11-20-10-21-23/h3-8,10-11H,9H2,1-2H3,(H,22,24)
InChIKeyQZZNVLIJNCTJCC-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.56
Rot. Bonds5

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

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 8794626) 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-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID8794626
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C
InChIInChI=1S/C18H17ClN4O2/c1-12-4-3-5-17(13(12)2)25-9-18(24)22-15-8-14(19)6-7-16(15)23-11-20-10-21-23/h3-8,10-11H,9H2,1-2H3,(H,22,24)
InChIKeyQZZNVLIJNCTJCC-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 41421726
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 8794748
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] butanoate
CID 7796667
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17092278
2-O-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505482
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838457
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate
CID 46694688
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620603
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 8794626) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is QZZNVLIJNCTJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-4-3-5-17(13(12)2)25-9-18(24)22-15-8-14(19)6-7-16(15)23-11-20-10-21-23/h3-8,10-11H,9H2,1-2H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.56, 5 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-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 8794626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).