N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C19H26N2O — CID 98112476

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H26N2O/c22-19(20-18-12-15-5-8-17(18)11-15)16-6-3-14(4-7-16)13-21-9-1-2-10-21/h3-4,6-7,15,17-18H,1-2,5,8-13H2,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyVBXZBKACLIBXGD-KBAYOESNSA-N
MW298.43 g/mol
LogP3.20
Rot. Bonds4

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 98112476) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID98112476
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H26N2O/c22-19(20-18-12-15-5-8-17(18)11-15)16-6-3-14(4-7-16)13-21-9-1-2-10-21/h3-4,6-7,15,17-18H,1-2,5,8-13H2,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyVBXZBKACLIBXGD-KBAYOESNSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283519
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 125042170
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 99643437
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 98112476) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is VBXZBKACLIBXGD-KBAYOESNSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-18-12-15-5-8-17(18)11-15)16-6-3-14(4-7-16)13-21-9-1-2-10-21/h3-4,6-7,15,17-18H,1-2,5,8-13H2,(H,20,22)/t15-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 298.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 98112476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).