N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide

C19H23F2NO — CID 3578809

IUPACN-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ccc(F)cc1F)(C3)C2
InChIInChI=1S/C19H23F2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-4-3-13(20)5-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23)
InChIKeyGWSFZWFGBCZQKK-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.90
Rot. Bonds2

About N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide

N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 3578809) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID3578809
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC NameN-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ccc(F)cc1F)(C3)C2
InChIInChI=1S/C19H23F2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-4-3-13(20)5-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23)
InChIKeyGWSFZWFGBCZQKK-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide (CID 3578809) is N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)Nc1ccc(F)cc1F)(C3)C2.
What is the InChIKey of N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is GWSFZWFGBCZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-17-6-12-7-18(2,9-17)11-19(8-12,10-17)16(23)22-15-4-3-13(20)5-14(15)21/h3-5,12H,6-11H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide?
N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 3578809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).