1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide

C18H13Cl2F3N4O2 — CID 16651900

IUPAC1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2F3N4O2/c1-29-9-15-16(25-26-27(15)12-5-2-10(19)3-6-12)17(28)24-11-4-7-14(20)13(8-11)18(21,22)23/h2-8H,9H2,1H3,(H,24,28)
InChIKeyXVOZDEIMIDMMLX-UHFFFAOYSA-N
MW445.23 g/mol
LogP4.99
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide (PubChem CID 16651900) has the molecular formula C18H13Cl2F3N4O2 and a molecular weight of 445.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
PubChem CID16651900
Molecular FormulaC18H13Cl2F3N4O2
Molecular Weight445.23 g/mol
Exact Mass444.04
IUPAC Name1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2F3N4O2/c1-29-9-15-16(25-26-27(15)12-5-2-10(19)3-6-12)17(28)24-11-4-7-14(20)13(8-11)18(21,22)23/h2-8H,9H2,1H3,(H,24,28)
InChIKeyXVOZDEIMIDMMLX-UHFFFAOYSA-N
XLogP4.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651940
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3971930
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651864
1-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651918
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide (CID 16651900) is 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide?
The InChIKey is XVOZDEIMIDMMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N4O2/c1-29-9-15-16(25-26-27(15)12-5-2-10(19)3-6-12)17(28)24-11-4-7-14(20)13(8-11)18(21,22)23/h2-8H,9H2,1H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide has a molecular weight of 445.23 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 16651900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).