N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide

C15H13FN4O — CID 1141321

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H13FN4O/c1-2-15(21)17-11-5-8-13-14(9-11)19-20(18-13)12-6-3-10(16)4-7-12/h3-9H,2H2,1H3,(H,17,21)
InChIKeyCIZLWGMURPBGJN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.91
Rot. Bonds3

About N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide

N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide (PubChem CID 1141321) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
PubChem CID1141321
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H13FN4O/c1-2-15(21)17-11-5-8-13-14(9-11)19-20(18-13)12-6-3-10(16)4-7-12/h3-9H,2H2,1H3,(H,17,21)
InChIKeyCIZLWGMURPBGJN-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide (CID 1141321) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide is CCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide?
The InChIKey is CIZLWGMURPBGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-2-15(21)17-11-5-8-13-14(9-11)19-20(18-13)12-6-3-10(16)4-7-12/h3-9H,2H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide has a molecular weight of 284.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 1141321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).