N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide

C19H19ClN4O2 — CID 46268336

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O2/c1-13-4-3-5-14(2)18(13)26-11-17(25)22-19-21-12-24(23-19)10-15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,23,25)
InChIKeyHJDHTQDKSPNOTN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.61
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 46268336) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID46268336
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O2/c1-13-4-3-5-14(2)18(13)26-11-17(25)22-19-21-12-24(23-19)10-15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,23,25)
InChIKeyHJDHTQDKSPNOTN-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxypropanamide
CID 71979884
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277534
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550018
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111720141
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19459355
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
CID 47059896
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(4-chloropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19524998
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide (CID 46268336) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is HJDHTQDKSPNOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-13-4-3-5-14(2)18(13)26-11-17(25)22-19-21-12-24(23-19)10-15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 370.84 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 46268336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).