N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide

C15H13FN4O — CID 110732173

IUPACN-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C15H13FN4O/c16-11-4-1-3-10(9-11)7-8-14(21)17-12-5-2-6-13-15(12)19-20-18-13/h1-6,9H,7-8H2,(H,17,21)(H,18,19,20)
InChIKeyORXCRUNRIVQCKP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.67
Rot. Bonds4

About N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide

N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide (PubChem CID 110732173) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide
PubChem CID110732173
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C15H13FN4O/c16-11-4-1-3-10(9-11)7-8-14(21)17-12-5-2-6-13-15(12)19-20-18-13/h1-6,9H,7-8H2,(H,17,21)(H,18,19,20)
InChIKeyORXCRUNRIVQCKP-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
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3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
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N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
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2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
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2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
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CID 47135378

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide (CID 110732173) is N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)Nc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide?
The InChIKey is ORXCRUNRIVQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-4-1-3-10(9-11)7-8-14(21)17-12-5-2-6-13-15(12)19-20-18-13/h1-6,9H,7-8H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide?
N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide has a molecular weight of 284.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110732173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).