N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide

C21H27FN2O2 — CID 18111449

IUPACN-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-13(17-2-4-18(22)5-3-17)24-19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,26)(H,24,25)
InChIKeySZHKBAASIHILEY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.34
Rot. Bonds5

About N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18111449) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18111449
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-13(17-2-4-18(22)5-3-17)24-19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,26)(H,24,25)
InChIKeySZHKBAASIHILEY-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 41259667
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51292727
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190763
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 29351125
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
(5S,7R)-3-chloro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 9393302
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888609
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 9032634

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 18111449) is N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide is CC(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is SZHKBAASIHILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-13(17-2-4-18(22)5-3-17)24-19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18111449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).