N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide

C22H19FN4O — CID 25142159

IUPACN-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
SMILESCc1ccc(F)c2[nH]cc(CCNC(=O)c3ccc(-c4ncccn4)cc3)c12
InChIInChI=1S/C22H19FN4O/c1-14-3-8-18(23)20-19(14)17(13-27-20)9-12-26-22(28)16-6-4-15(5-7-16)21-24-10-2-11-25-21/h2-8,10-11,13,27H,9,12H2,1H3,(H,26,28)
InChIKeyVTZBKXKYKNTOCK-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide

N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide (PubChem CID 25142159) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
PubChem CID25142159
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
SMILESCc1ccc(F)c2[nH]cc(CCNC(=O)c3ccc(-c4ncccn4)cc3)c12
InChIInChI=1S/C22H19FN4O/c1-14-3-8-18(23)20-19(14)17(13-27-20)9-12-26-22(28)16-6-4-15(5-7-16)21-24-10-2-11-25-21/h2-8,10-11,13,27H,9,12H2,1H3,(H,26,28)
InChIKeyVTZBKXKYKNTOCK-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 25142685
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
CID 162753036
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 110481973
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111192072

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide (CID 25142159) is N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide is Cc1ccc(F)c2[nH]cc(CCNC(=O)c3ccc(-c4ncccn4)cc3)c12.
What is the InChIKey of N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The InChIKey is VTZBKXKYKNTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-3-8-18(23)20-19(14)17(13-27-20)9-12-26-22(28)16-6-4-15(5-7-16)21-24-10-2-11-25-21/h2-8,10-11,13,27H,9,12H2,1H3,(H,26,28).
What are the key properties of N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide has a molecular weight of 374.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 25142159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).