N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide

C19H23F2NO — CID 7689217

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NO/c1-11(22-18(23)16-3-2-15(20)7-17(16)21)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyLGFWOLQFIXRTAL-UZNLNLPZSA-N
MW319.39 g/mol
LogP4.30
Rot. Bonds3

About N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide

N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide (PubChem CID 7689217) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
PubChem CID7689217
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NO/c1-11(22-18(23)16-3-2-15(20)7-17(16)21)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyLGFWOLQFIXRTAL-UZNLNLPZSA-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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Related Compounds

N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 7869927
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342
N-[1-(1-adamantyl)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788166

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide (CID 7689217) is N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide is C[C@@H](NC(=O)c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is LGFWOLQFIXRTAL-UZNLNLPZSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-11(22-18(23)16-3-2-15(20)7-17(16)21)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2,4-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-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 7689217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).