4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide

C14H15FIN5O — CID 56555561

IUPAC4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1ccc(F)cc1I
InChIInChI=1S/C14H15FIN5O/c15-9-4-5-10(11(16)8-9)12(22)17-13-18-14(20-19-13)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7H2,(H2,17,18,19,20,22)
InChIKeyBFJNWPOZCQWPQF-UHFFFAOYSA-N
MW415.21 g/mol
LogP2.79
Rot. Bonds3

About 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide

4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 56555561) has the molecular formula C14H15FIN5O and a molecular weight of 415.21 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID56555561
Molecular FormulaC14H15FIN5O
Molecular Weight415.21 g/mol
Exact Mass415.03
IUPAC Name4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1ccc(F)cc1I
InChIInChI=1S/C14H15FIN5O/c15-9-4-5-10(11(16)8-9)12(22)17-13-18-14(20-19-13)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7H2,(H2,17,18,19,20,22)
InChIKeyBFJNWPOZCQWPQF-UHFFFAOYSA-N
XLogP2.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 75376748
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
CID 56527542
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874285
3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56527384
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-5-fluoro-2-hydroxybenzamide
CID 58865684
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide (CID 56555561) is 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is BFJNWPOZCQWPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN5O/c15-9-4-5-10(11(16)8-9)12(22)17-13-18-14(20-19-13)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7H2,(H2,17,18,19,20,22).
What are the key properties of 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide?
4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 415.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 56555561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).