(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide

C23H29FN2O2 — CID 11696680

IUPAC(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3C[C@H](C1)C(NC(=O)C1(c4ccccc4F)CCCC1)[C@@H](C3)C2
InChIInChI=1S/C23H29FN2O2/c24-18-6-2-1-5-17(18)23(7-3-4-8-23)21(28)26-19-15-9-14-10-16(19)13-22(11-14,12-15)20(25)27/h1-2,5-6,14-16,19H,3-4,7-13H2,(H2,25,27)(H,26,28)/t14?,15-,16+,19?,22?
InChIKeyLZLBNEKHWJCACU-YMSKBKNJSA-N
MW384.50 g/mol
LogP3.43
Rot. Bonds4

About (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide

(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 11696680) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID11696680
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3C[C@H](C1)C(NC(=O)C1(c4ccccc4F)CCCC1)[C@@H](C3)C2
InChIInChI=1S/C23H29FN2O2/c24-18-6-2-1-5-17(18)23(7-3-4-8-23)21(28)26-19-15-9-14-10-16(19)13-22(11-14,12-15)20(25)27/h1-2,5-6,14-16,19H,3-4,7-13H2,(H2,25,27)(H,26,28)/t14?,15-,16+,19?,22?
InChIKeyLZLBNEKHWJCACU-YMSKBKNJSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide (CID 11696680) is (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3C[C@H](C1)C(NC(=O)C1(c4ccccc4F)CCCC1)[C@@H](C3)C2.
What is the InChIKey of (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is LZLBNEKHWJCACU-YMSKBKNJSA-N. The full InChI is InChI=1S/C23H29FN2O2/c24-18-6-2-1-5-17(18)23(7-3-4-8-23)21(28)26-19-15-9-14-10-16(19)13-22(11-14,12-15)20(25)27/h1-2,5-6,14-16,19H,3-4,7-13H2,(H2,25,27)(H,26,28)/t14?,15-,16+,19?,22?.
What are the key properties of (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 11696680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).