5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide

C23H21FN4O2 — CID 172655951

IUPAC5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide
SMILESCOc1cc(-c2cccc3c(C(=O)NCCCn4ccnn4)cccc23)ccc1F
InChIInChI=1S/C23H21FN4O2/c1-30-22-15-16(9-10-21(22)24)17-5-2-7-19-18(17)6-3-8-20(19)23(29)25-11-4-13-28-14-12-26-27-28/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,25,29)
InChIKeyHDPHNZJSIYISKG-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.07
Rot. Bonds7

About 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide

5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide (PubChem CID 172655951) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide
PubChem CID172655951
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide
SMILESCOc1cc(-c2cccc3c(C(=O)NCCCn4ccnn4)cccc23)ccc1F
InChIInChI=1S/C23H21FN4O2/c1-30-22-15-16(9-10-21(22)24)17-5-2-7-19-18(17)6-3-8-20(19)23(29)25-11-4-13-28-14-12-26-27-28/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,25,29)
InChIKeyHDPHNZJSIYISKG-UHFFFAOYSA-N
XLogP4.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135091896
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 166387441
2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide
CID 91768013
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
2-methyl-N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)benzamide
CID 91775896
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
N-[3-(triazol-1-yl)propyl]-1,3-benzothiazole-7-carboxamide
CID 157017238
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide
CID 175643698
2-[2-oxo-2-[3-(triazol-1-yl)propylamino]ethyl]benzoic acid
CID 104601773
3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
2,3-dimethoxy-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzamide
CID 42143602

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide (CID 172655951) is 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide is COc1cc(-c2cccc3c(C(=O)NCCCn4ccnn4)cccc23)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide?
The InChIKey is HDPHNZJSIYISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-30-22-15-16(9-10-21(22)24)17-5-2-7-19-18(17)6-3-8-20(19)23(29)25-11-4-13-28-14-12-26-27-28/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,25,29).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide?
5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172655951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).