N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide

C25H29ClN2O2 — CID 46890258

IUPACN-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1
InChIInChI=1S/C25H29ClN2O2/c1-16(29)27-19-7-5-6-17(10-19)18-8-9-21(22(26)11-18)23(30)28-15-25(4)13-20(28)12-24(2,3)14-25/h5-11,20H,12-15H2,1-4H3,(H,27,29)/t20-,25-/m1/s1
InChIKeyVMXLDNYGXYDAEE-CJFMBICVSA-N
MW424.97 g/mol
LogP6.01
Rot. Bonds3

About N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide

N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide (PubChem CID 46890258) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide
PubChem CID46890258
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC NameN-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1
InChIInChI=1S/C25H29ClN2O2/c1-16(29)27-19-7-5-6-17(10-19)18-8-9-21(22(26)11-18)23(30)28-15-25(4)13-20(28)12-24(2,3)14-25/h5-11,20H,12-15H2,1-4H3,(H,27,29)/t20-,25-/m1/s1
InChIKeyVMXLDNYGXYDAEE-CJFMBICVSA-N
XLogP6.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.97
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide (CID 46890258) is N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1.
What is the InChIKey of N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide?
The InChIKey is VMXLDNYGXYDAEE-CJFMBICVSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c1-16(29)27-19-7-5-6-17(10-19)18-8-9-21(22(26)11-18)23(30)28-15-25(4)13-20(28)12-24(2,3)14-25/h5-11,20H,12-15H2,1-4H3,(H,27,29)/t20-,25-/m1/s1.
What are the key properties of N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide?
N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide has a molecular weight of 424.97 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 46890258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).