N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide

C24H31F3N2O — CID 22888129

IUPACN-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31F3N2O/c25-24(26,27)20-3-1-16(2-4-20)5-7-29-8-6-21(15-29)28-22(30)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,28,30)
InChIKeyHHMKDUSRGJSDGA-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.65
Rot. Bonds5

About N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide

N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 22888129) has the molecular formula C24H31F3N2O and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID22888129
Molecular FormulaC24H31F3N2O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC NameN-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31F3N2O/c25-24(26,27)20-3-1-16(2-4-20)5-7-29-8-6-21(15-29)28-22(30)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,28,30)
InChIKeyHHMKDUSRGJSDGA-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;hydrate;hydrochloride
CID 70172047
N-[(3S)-1-benzylpyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-[2-(4-bromophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 160700469
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide
CID 59915868
1-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119888114
5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide
CID 70176418
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 126855428
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-sulfonamide
CID 18411818
1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
CID 10023485
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 161444610
4-[4-(adamantane-1-carbonylamino)piperidin-1-yl]benzoic acid
CID 57475024

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide (CID 22888129) is N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide is O=C(NC1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is HHMKDUSRGJSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O/c25-24(26,27)20-3-1-16(2-4-20)5-7-29-8-6-21(15-29)28-22(30)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,28,30).
What are the key properties of N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide?
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 22888129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).