N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide

C26H29FN2O2 — CID 2882532

IUPACN-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C26H29FN2O2/c27-22-8-6-21(7-9-22)24(30)29-23(25(31)28-16-17-4-2-1-3-5-17)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,18-20,23H,10-16H2,(H,28,31)(H,29,30)
InChIKeyOPSFBQRNAIFHJT-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide

N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 2882532) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID2882532
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC NameN-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C26H29FN2O2/c27-22-8-6-21(7-9-22)24(30)29-23(25(31)28-16-17-4-2-1-3-5-17)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,18-20,23H,10-16H2,(H,28,31)(H,29,30)
InChIKeyOPSFBQRNAIFHJT-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetic acid
CID 2834333
methyl (2S)-2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 7065662
methyl 2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 4017975
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 7482121
(2S)-2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetic acid
CID 7123972
N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 7345351
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[(1S)-1-(1-adamantyl)-2-oxo-2-(pyridin-2-ylamino)ethyl]-4-methylbenzamide
CID 7233112
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide (CID 2882532) is N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide is O=C(NC(C(=O)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is OPSFBQRNAIFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2/c27-22-8-6-21(7-9-22)24(30)29-23(25(31)28-16-17-4-2-1-3-5-17)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,18-20,23H,10-16H2,(H,28,31)(H,29,30).
What are the key properties of N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide?
N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 420.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 2882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).