1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide

C17H17ClN4O2 — CID 56905401

IUPAC1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1
InChIInChI=1S/C17H17ClN4O2/c1-12-3-8-15(24-12)10-21(2)17(23)16-11-22(20-19-16)9-13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3
InChIKeyRMYXXPWGOHBXQA-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.15
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide (PubChem CID 56905401) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
PubChem CID56905401
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1
InChIInChI=1S/C17H17ClN4O2/c1-12-3-8-15(24-12)10-21(2)17(23)16-11-22(20-19-16)9-13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3
InChIKeyRMYXXPWGOHBXQA-UHFFFAOYSA-N
XLogP3.15
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 51101279
N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]triazole-4-carboxamide
CID 56900034
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylic acid
CID 62059937
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 46576084
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide (CID 56905401) is 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is RMYXXPWGOHBXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-12-3-8-15(24-12)10-21(2)17(23)16-11-22(20-19-16)9-13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56905401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).