N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide

C19H23F2NO — CID 3958773

IUPACN-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NO/c1-11(22-18(23)15-5-16(20)7-17(21)6-15)19-8-12-2-13(9-19)4-14(3-12)10-19/h5-7,11-14H,2-4,8-10H2,1H3,(H,22,23)
InChIKeyMQCKRMHYDMOWEZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide

N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide (PubChem CID 3958773) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
PubChem CID3958773
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC NameN-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NO/c1-11(22-18(23)15-5-16(20)7-17(21)6-15)19-8-12-2-13(9-19)4-14(3-12)10-19/h5-7,11-14H,2-4,8-10H2,1H3,(H,22,23)
InChIKeyMQCKRMHYDMOWEZ-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide (CID 3958773) is N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide is CC(NC(=O)c1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide?
The InChIKey is MQCKRMHYDMOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-11(22-18(23)15-5-16(20)7-17(21)6-15)19-8-12-2-13(9-19)4-14(3-12)10-19/h5-7,11-14H,2-4,8-10H2,1H3,(H,22,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide?
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide has a molecular weight of 319.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 3958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).