N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide

C20H19ClN4O4 — CID 16651940

IUPACN-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O4/c1-12(26)13-4-9-18(29-3)16(10-13)22-20(27)19-17(11-28-2)25(24-23-19)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,22,27)
InChIKeyCKZXVTRUIVHXIN-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.53
Rot. Bonds7

About N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide

N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide (PubChem CID 16651940) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
PubChem CID16651940
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O4/c1-12(26)13-4-9-18(29-3)16(10-13)22-20(27)19-17(11-28-2)25(24-23-19)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,22,27)
InChIKeyCKZXVTRUIVHXIN-UHFFFAOYSA-N
XLogP3.53
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651776
N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651608
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
CID 16651900
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
ethyl 2-[[1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16651916
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
1-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651918
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide (CID 16651940) is N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
The InChIKey is CKZXVTRUIVHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-12(26)13-4-9-18(29-3)16(10-13)22-20(27)19-17(11-28-2)25(24-23-19)15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,22,27).
What are the key properties of N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide?
N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 16651940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).