N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide

C23H20F2N2O — CID 58487482

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)CC(F)(F)C3)cn1
InChIInChI=1S/C23H20F2N2O/c1-14-5-3-4-6-19(14)22(28)27-21-8-7-16(13-26-21)20-10-18-12-23(24,25)11-17(18)9-15(20)2/h3-10,13H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyMVPCJCJACQNASG-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.35
Rot. Bonds3

About N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide

N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 58487482) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
PubChem CID58487482
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)CC(F)(F)C3)cn1
InChIInChI=1S/C23H20F2N2O/c1-14-5-3-4-6-19(14)22(28)27-21-8-7-16(13-26-21)20-10-18-12-23(24,25)11-17(18)9-15(20)2/h3-10,13H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyMVPCJCJACQNASG-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide (CID 58487482) is N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)CC(F)(F)C3)cn1.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is MVPCJCJACQNASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-14-5-3-4-6-19(14)22(28)27-21-8-7-16(13-26-21)20-10-18-12-23(24,25)11-17(18)9-15(20)2/h3-10,13H,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide?
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 378.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 58487482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).