N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide

C23H26FN3O4 — CID 39984626

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C23H26FN3O4/c1-3-30-21-14-20(27-7-9-29-10-8-27)22(31-4-2)13-18(21)26-23(28)19-12-15-11-16(24)5-6-17(15)25-19/h5-6,11-14,25H,3-4,7-10H2,1-2H3,(H,26,28)
InChIKeyKNBZUZSTCXZYJM-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.19
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 39984626) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID39984626
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C23H26FN3O4/c1-3-30-21-14-20(27-7-9-29-10-8-27)22(31-4-2)13-18(21)26-23(28)19-12-15-11-16(24)5-6-17(15)25-19/h5-6,11-14,25H,3-4,7-10H2,1-2H3,(H,26,28)
InChIKeyKNBZUZSTCXZYJM-UHFFFAOYSA-N
XLogP4.19
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55764914
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 39984626) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is KNBZUZSTCXZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-3-30-21-14-20(27-7-9-29-10-8-27)22(31-4-2)13-18(21)26-23(28)19-12-15-11-16(24)5-6-17(15)25-19/h5-6,11-14,25H,3-4,7-10H2,1-2H3,(H,26,28).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 39984626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).