(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide

C24H26Cl3N3O2 — CID 54582311

IUPAC(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C24H26Cl3N3O2/c25-16-4-1-14(2-5-16)10-22(24(32)29-19-12-17-6-7-18(13-19)28-17)30-23(31)11-15-3-8-20(26)21(27)9-15/h1-5,8-9,17-19,22,28H,6-7,10-13H2,(H,29,32)(H,30,31)/t17-,18+,19?,22-/m1/s1
InChIKeyFHZXAQIIKYSFPE-JVXMTQNBSA-N
MW494.85 g/mol
LogP4.32
Rot. Bonds7

About (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide

(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide (PubChem CID 54582311) has the molecular formula C24H26Cl3N3O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide
PubChem CID54582311
Molecular FormulaC24H26Cl3N3O2
Molecular Weight494.85 g/mol
Exact Mass493.11
IUPAC Name(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C24H26Cl3N3O2/c25-16-4-1-14(2-5-16)10-22(24(32)29-19-12-17-6-7-18(13-19)28-17)30-23(31)11-15-3-8-20(26)21(27)9-15/h1-5,8-9,17-19,22,28H,6-7,10-13H2,(H,29,32)(H,30,31)/t17-,18+,19?,22-/m1/s1
InChIKeyFHZXAQIIKYSFPE-JVXMTQNBSA-N
XLogP4.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.85
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide?
The IUPAC name of (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide (CID 54582311) is (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide is O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide?
The InChIKey is FHZXAQIIKYSFPE-JVXMTQNBSA-N. The full InChI is InChI=1S/C24H26Cl3N3O2/c25-16-4-1-14(2-5-16)10-22(24(32)29-19-12-17-6-7-18(13-19)28-17)30-23(31)11-15-3-8-20(26)21(27)9-15/h1-5,8-9,17-19,22,28H,6-7,10-13H2,(H,29,32)(H,30,31)/t17-,18+,19?,22-/m1/s1.
What are the key properties of (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide?
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide has a molecular weight of 494.85 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 54582311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).