2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

C19H19ClN4O4 — CID 7614464

IUPAC2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3C)n[nH]2)cc1OC
InChIInChI=1S/C19H19ClN4O4/c1-11-8-13(20)5-7-14(11)28-10-17(25)21-19-22-18(23-24-19)12-4-6-15(26-2)16(9-12)27-3/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyPGASJLYUPPPDTN-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 7614464) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID7614464
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3C)n[nH]2)cc1OC
InChIInChI=1S/C19H19ClN4O4/c1-11-8-13(20)5-7-14(11)28-10-17(25)21-19-22-18(23-24-19)12-4-6-15(26-2)16(9-12)27-3/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyPGASJLYUPPPDTN-UHFFFAOYSA-N
XLogP3.47
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
2-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927767
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3502326
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 7614464) is 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3C)n[nH]2)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is PGASJLYUPPPDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-11-8-13(20)5-7-14(11)28-10-17(25)21-19-22-18(23-24-19)12-4-6-15(26-2)16(9-12)27-3/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 402.84 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 7614464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).