5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide

C18H17ClN4O3 — CID 169402986

IUPAC5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1COc1ccc(Cl)cc1C
InChIInChI=1S/C18H17ClN4O3/c1-10-7-13(19)4-6-14(10)26-9-12-8-11(3-5-15(12)25-2)16-17(18(20)24)22-23-21-16/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyQNCNZZVBOZZDSV-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.12
Rot. Bonds6

About 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide

5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169402986) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169402986
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1COc1ccc(Cl)cc1C
InChIInChI=1S/C18H17ClN4O3/c1-10-7-13(19)4-6-14(10)26-9-12-8-11(3-5-15(12)25-2)16-17(18(20)24)22-23-21-16/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyQNCNZZVBOZZDSV-UHFFFAOYSA-N
XLogP3.12
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
ethyl 5-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399844
ethyl 5-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399837
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966
ethyl 5-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169399978
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402490
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169402986) is 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide is COc1ccc(-c2n[nH]nc2C(N)=O)cc1COc1ccc(Cl)cc1C.
What is the InChIKey of 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is QNCNZZVBOZZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-10-7-13(19)4-6-14(10)26-9-12-8-11(3-5-15(12)25-2)16-17(18(20)24)22-23-21-16/h3-8H,9H2,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).