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

C22H18F2N4O — CID 25142027

IUPACN-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
SMILESCc1[nH]c2c(F)ccc(F)c2c1CCNC(=O)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C22H18F2N4O/c1-13-16(19-17(23)7-8-18(24)20(19)28-13)9-12-27-22(29)15-5-3-14(4-6-15)21-25-10-2-11-26-21/h2-8,10-11,28H,9,12H2,1H3,(H,27,29)
InChIKeyHWLHFTYHNXPZHS-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.18
Rot. Bonds5

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

N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide (PubChem CID 25142027) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
PubChem CID25142027
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
SMILESCc1[nH]c2c(F)ccc(F)c2c1CCNC(=O)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C22H18F2N4O/c1-13-16(19-17(23)7-8-18(24)20(19)28-13)9-12-27-22(29)15-5-3-14(4-6-15)21-25-10-2-11-26-21/h2-8,10-11,28H,9,12H2,1H3,(H,27,29)
InChIKeyHWLHFTYHNXPZHS-UHFFFAOYSA-N
XLogP4.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-fluoro-4-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142159
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
CID 44625343
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
CID 25142295
6-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 90723341
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide
CID 91159836
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
CID 44625269
6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 91163173
N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
CID 44625494
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264
CID 89102295
CID 89102295

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide (CID 25142027) is N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide is Cc1[nH]c2c(F)ccc(F)c2c1CCNC(=O)c1ccc(-c2ncccn2)cc1.
What is the InChIKey of N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
The InChIKey is HWLHFTYHNXPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-16(19-17(23)7-8-18(24)20(19)28-13)9-12-27-22(29)15-5-3-14(4-6-15)21-25-10-2-11-26-21/h2-8,10-11,28H,9,12H2,1H3,(H,27,29).
What are the key properties of N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide?
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide has a molecular weight of 392.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 25142027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).