N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide

C16H13FN4O — CID 16648951

IUPACN-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)15-7-5-12(6-8-15)16(22)19-14-4-2-3-13(17)9-14/h2-10H,1H3,(H,19,22)
InChIKeyPOBKTFBOTFCAPD-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide

N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide (PubChem CID 16648951) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
PubChem CID16648951
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)15-7-5-12(6-8-15)16(22)19-14-4-2-3-13(17)9-14/h2-10H,1H3,(H,19,22)
InChIKeyPOBKTFBOTFCAPD-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bomedemstat
CID 122460381
Triazole Ligand, 6b
CID 24881328
Triazole Ligand, 12b
CID 24881332
Triazole Ligand, 6c
CID 24881404
Triazole Ligand, 12c
CID 24881464
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
1-phenyl-3-(1-m-tolyl-1H-tetrazol-5-yl)propan-1-one
CID 46890278
4-acetamido-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]benzamide
CID 53378078
(4-Aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681682
1-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one
CID 747469
4-(5-tert-Butyl-[1,2,3]triazol-1-yl)-benzaldehyde
CID 781397
4-[[1-(3-aminopropyl)triazol-4-yl]methylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 44449588

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide (CID 16648951) is N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide is Cc1cnnn1-c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The InChIKey is POBKTFBOTFCAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)15-7-5-12(6-8-15)16(22)19-14-4-2-3-13(17)9-14/h2-10H,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide is sourced from PubChem (CID 16648951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).