(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide

C22H25ClN2O2 — CID 170507713

IUPAC(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]21
InChIInChI=1S/C22H25ClN2O2/c23-20-4-2-1-3-17(20)21-8-7-16(27-21)12-25-10-9-14-11-18(19(14)13-25)22(26)24-15-5-6-15/h1-4,7-8,14-15,18-19H,5-6,9-13H2,(H,24,26)/t14-,18-,19-/m1/s1
InChIKeyRCCWMOWXLIPFBE-NIKGAXFTSA-N
MW384.91 g/mol
LogP4.34
Rot. Bonds5

About (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide

(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide (PubChem CID 170507713) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide
PubChem CID170507713
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]21
InChIInChI=1S/C22H25ClN2O2/c23-20-4-2-1-3-17(20)21-8-7-16(27-21)12-25-10-9-14-11-18(19(14)13-25)22(26)24-15-5-6-15/h1-4,7-8,14-15,18-19H,5-6,9-13H2,(H,24,26)/t14-,18-,19-/m1/s1
InChIKeyRCCWMOWXLIPFBE-NIKGAXFTSA-N
XLogP4.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide with MolForge

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Related Compounds

(1R,6S,8R)-N-cyclopropyl-3-(9H-fluoren-2-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
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1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
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CID 97366737
1-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
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N-[[5-(2-chlorophenyl)furan-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 91838469
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CID 110929359
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036293
(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
CID 70951099
N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 3445666
N-[(1S)-1-[7-[[5-(2-chlorophenyl)furan-2-yl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-methylpropanamide
CID 30868411

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide?
The IUPAC name of (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide (CID 170507713) is (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide.
What is the SMILES notation for (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide?
The canonical SMILES for (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H]2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]21.
What is the InChIKey of (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide?
The InChIKey is RCCWMOWXLIPFBE-NIKGAXFTSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-4-2-1-3-17(20)21-8-7-16(27-21)12-25-10-9-14-11-18(19(14)13-25)22(26)24-15-5-6-15/h1-4,7-8,14-15,18-19H,5-6,9-13H2,(H,24,26)/t14-,18-,19-/m1/s1.
What are the key properties of (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide?
(1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-cyclopropyl-3-azabicyclo[4.2.0]octane-8-carboxamide is sourced from PubChem (CID 170507713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).