N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide

C19H15FN2O2 — CID 90574335

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H15FN2O2/c20-15-8-2-4-10-18(15)24-12-6-5-11-21-19(23)17-13-14-7-1-3-9-16(14)22-17/h1-4,7-10,13,22H,11-12H2,(H,21,23)
InChIKeyOZOIGTTYEAZTKF-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide

N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide (PubChem CID 90574335) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
PubChem CID90574335
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H15FN2O2/c20-15-8-2-4-10-18(15)24-12-6-5-11-21-19(23)17-13-14-7-1-3-9-16(14)22-17/h1-4,7-10,13,22H,11-12H2,(H,21,23)
InChIKeyOZOIGTTYEAZTKF-UHFFFAOYSA-N
XLogP3.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
CID 90579189
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
CID 90578229
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
CID 90574329
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide (CID 90574335) is N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide is O=C(NCC#CCOc1ccccc1F)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide?
The InChIKey is OZOIGTTYEAZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-8-2-4-10-18(15)24-12-6-5-11-21-19(23)17-13-14-7-1-3-9-16(14)22-17/h1-4,7-10,13,22H,11-12H2,(H,21,23).
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90574335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).