N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide

C18H17FN4O — CID 17015504

IUPACN-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccccc1
InChIInChI=1S/C18H17FN4O/c1-2-8-16-17(18(24)20-15-12-7-6-11-14(15)19)21-22-23(16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,20,24)
InChIKeySRIRHCFHXRKRNB-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.61
Rot. Bonds5

About N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide

N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide (PubChem CID 17015504) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
PubChem CID17015504
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccccc1
InChIInChI=1S/C18H17FN4O/c1-2-8-16-17(18(24)20-15-12-7-6-11-14(15)19)21-22-23(16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,20,24)
InChIKeySRIRHCFHXRKRNB-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(2-fluorophenyl)triazole-4-carboxamide
CID 71758819
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
CID 118564531
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
methyl 1-(2-fluorophenyl)-5-propyltriazole-4-carboxylate
CID 94068960
1-(3,4-difluorophenyl)-5-propyltriazole-4-carboxylic acid
CID 43325118
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide (CID 17015504) is N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide?
The InChIKey is SRIRHCFHXRKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-2-8-16-17(18(24)20-15-12-7-6-11-14(15)19)21-22-23(16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide?
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 17015504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).