N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide

C30H35FN2O2 — CID 55805138

IUPACN-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C30H35FN2O2/c31-26-4-1-3-21(14-26)15-27-5-2-10-33(27)28(34)25-8-6-20(7-9-25)19-32-29(35)30-16-22-11-23(17-30)13-24(12-22)18-30/h1,3-4,6-9,14,22-24,27H,2,5,10-13,15-19H2,(H,32,35)
InChIKeyGCEDOQMPWPIWEN-UHFFFAOYSA-N
MW474.62 g/mol
LogP5.51
Rot. Bonds6

About N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 55805138) has the molecular formula C30H35FN2O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID55805138
Molecular FormulaC30H35FN2O2
Molecular Weight474.62 g/mol
Exact Mass474.27
IUPAC NameN-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C30H35FN2O2/c31-26-4-1-3-21(14-26)15-27-5-2-10-33(27)28(34)25-8-6-20(7-9-25)19-32-29(35)30-16-22-11-23(17-30)13-24(12-22)18-30/h1,3-4,6-9,14,22-24,27H,2,5,10-13,15-19H2,(H,32,35)
InChIKeyGCEDOQMPWPIWEN-UHFFFAOYSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
N-[3-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 55898161
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 55805135
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
3-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55805326
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide (CID 55805138) is N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide is O=C(c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is GCEDOQMPWPIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O2/c31-26-4-1-3-21(14-26)15-27-5-2-10-33(27)28(34)25-8-6-20(7-9-25)19-32-29(35)30-16-22-11-23(17-30)13-24(12-22)18-30/h1,3-4,6-9,14,22-24,27H,2,5,10-13,15-19H2,(H,32,35).
What are the key properties of N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 474.62 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 55805138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).