N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide

C21H17ClN4O2 — CID 46576084

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C21H17ClN4O2/c1-25(13-18-11-12-20(28-18)15-7-9-16(22)10-8-15)21(27)19-14-26(24-23-19)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3
InChIKeyZUSICNWEHKXIHG-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.45
Rot. Bonds5

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 46576084) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
PubChem CID46576084
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C21H17ClN4O2/c1-25(13-18-11-12-20(28-18)15-7-9-16(22)10-8-15)21(27)19-14-26(24-23-19)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3
InChIKeyZUSICNWEHKXIHG-UHFFFAOYSA-N
XLogP4.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
N-methyl-N-(3-methylbutyl)-1-phenyltriazole-4-carboxamide
CID 86929679
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31746270
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 9203744
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17498389
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,4-dimethylthiadiazole-5-carboxamide
CID 112773350

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide (CID 46576084) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is ZUSICNWEHKXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-25(13-18-11-12-20(28-18)15-7-9-16(22)10-8-15)21(27)19-14-26(24-23-19)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46576084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).